Bohemine

Bohemine

SCHEMBL1443403

CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 16/20 1.00
CCNB1 P14635 7/20 1.00
CDK2 P24941 7/20 1.00
CCNB2 O95067 4/20 1.00
CCNB3 Q8WWL7 4/20 1.00
TDP1 Q9NUW8 2/20 1.00
CDK5 Q00535 7/20 0.88
CSNK1D P48730 1/20 0.88
CLK2 P49760 1/20 0.88
DYRK1A Q13627 1/20 0.88
HIPK4 Q8NE63 1/20 0.88
SRPK1 Q96SB4 1/20 0.88
CLK4 Q9HAZ1 1/20 0.88
KDM4E B2RXH2 1/20 0.81
NPC1 O15118 1/20 0.81
MAPT P10636 1/20 0.81
CCNE2 O96020 3/20 0.72
CCNE1 P24864 3/20 0.72
CCNA2 P20248 2/20 0.72
CCNA1 P78396 2/20 0.72

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bohemine SCHEMBL29572816 1.00 CDK1 (1.00) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL7112489 0.97 CDK1 (0.94) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL7113555 0.96 CDK1 (0.92) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL1216905 0.94 CDK1 (1.00) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL24669662 0.90 TDP1 (0.81) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL31069517 0.88 TDP1 (0.87) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL2098182 0.87 CDK2 (0.88) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL24668597 0.87 TDP1 (0.85) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL2169283 0.87 CDK2 (1.00) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL29783464 0.87 CDK2 (1.00) CDK1CCNB1CDK2CCNB2CCNB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107904201-A Differentiation of the human embryo stem cell to pancreatic endocrine pedigree 詹森生物科技公司 2018-04-13 CN claimed
CN-102272291-B Differentiation of human embryonic stem cells into the pancreatic endocrine lineage 詹森生物科技公司 2018-01-16 CN claimed
EP-2346988-B1 DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS TO THE PANCREATIC ENDOCRINE LINEAGE JANSSEN BIOTECH INC (US) 2017-05-31 EP claimed
US-20100273802-A1 NEW PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2010-10-28 US claimed
US-20090030019-A1 PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2009-01-29 US claimed
US-20030186999-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2003-10-02 US claimed
EP-1308447-A1 Purine derivatives having antiproliferative properties and biological uses thereof Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2003-05-07 EP claimed
US-20020049218-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2002-04-25 US claimed
EP-0874847-A1 NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-11-04 EP claimed
WO-1997020842-A1 NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 1997-06-12 WO claimed
JP-11322610-A None JP disclosed
EP-3025714-B9 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC (US) 2020-11-18 EP disclosed
EP-3025714-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC (US) 2020-07-15 EP disclosed
US-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER ARQULE, INC. 2020-05-21 US disclosed
US-10421948-B2 Methods for making pancreatic endocrine cells JANSSEN BIOTECH, INC. (US) 2019-09-24 US disclosed
US-20020065293-A1 Cyclin dependent kinase inhibitor INSTITUTE OF EXPERIMENTAL BOTANY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC 2002-05-30 US disclosed
EP-1147108-A1 SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2001-10-24 EP disclosed
US-6221873-B1 CONTACTING SAID CELL WITH A COMPOUND 2-(HYDROXYALKYLAMINO)-6-BENZYLAMINO-9-ISOPROPYLPURINE; CDK4 CDK7 ENZYMES ARE INHIBITED IN SAID CELL. INSTITUTE OF EXPERIMENTAL BOTANY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2001-04-24 US disclosed
WO-2000043394-A1 SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF ÚSTAV EXPERIMENTÁLNÍ BOTANIKY AV CR (CZ) 2000-07-27 WO disclosed
JP-H11322610-A CYCLIN-DEPENDENT KINASE INHIBITOR CYCLACEL LTD 1999-11-24 JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100273802-A1 NEW PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES PNP, TYMP, DPYD CDK1 404/4885CCNB1 276/4885CDK2 226/4885
US-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER TP53, KRAS, VHL CDK1 230/4885CCNB1 94/4885CDK2 170/4885
US-20030186999-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses PNP, TYMP, NUDT1 CDK1 501/4885CCNB1 340/4885CDK2 359/4885
US-20020049218-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses PNP, TYMP, NUDT1 CDK1 501/4885CCNB1 340/4885CDK2 359/4885
US-20090030019-A1 PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES PNP, TYMP, NUDT1 CDK1 516/4885CCNB1 327/4885CDK2 344/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.