SCHEMBL3851604

SCHEMBL3851604

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

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.78
KDM4E B2RXH2 1/20 0.78
NPC1 O15118 1/20 0.78
MAPT P10636 1/20 0.78
CDK1 P06493 18/20 0.76
CDK5 Q00535 8/20 0.76
CCNB1 P14635 7/20 0.68
CDK2 P24941 5/20 0.68
CCNB2 O95067 2/20 0.68
CCNB3 Q8WWL7 2/20 0.68
CSNK1D P48730 1/20 0.67
CLK2 P49760 1/20 0.67
DYRK1A Q13627 1/20 0.67
HIPK4 Q8NE63 1/20 0.67
SRPK1 Q96SB4 1/20 0.67
CLK4 Q9HAZ1 1/20 0.67
CCNE1 P24864 1/20 0.64

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
SCHEMBL17450186 0.91 TDP1 (0.64) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL3298667 0.89 CDK1 (0.63) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL3295958 0.89 CDK2 (0.68) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL17450180 0.89 TDP1 (0.61) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL3299543 0.88 CDK2 (0.70) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL3295975 0.87 CDK2 (0.66) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL1400442 0.85 CDK1 (1.00) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL4484470 0.85 CDK1 (0.64) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL3302791 0.84 CDK2 (0.63) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL3300764 0.84 CDK2 (0.65) TDP1KDM4ENPC1MAPTCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10561661-B2 Purine derivative compounds for medical use MANROS THERAPEUTICS (FR) 2020-02-18 US disclosed
US-10561661-B2 Purine derivative compounds for medical use MANROS THERAPEUTICS (FR) 2020-02-18 US disclosed
US-10519160-B2 Imaging agents for neural flux THE GENERAL HOSPITAL CORPORATION (US) 2019-12-31 US disclosed
EP-2907514-B1 Purine derivative compounds for medical use MANROS THERAPEUTICS (FR) 2019-10-23 EP disclosed
EP-2907514-B1 Purine derivative compounds for medical use MANROS THERAPEUTICS (FR) 2019-10-23 EP disclosed
WO-2016011394-A1 IMAGING AGENTS FOR NEURAL FLUX THE GENERAL HOSPITAL CORPORATION (US) 2016-01-21 WO disclosed
US-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-12 US disclosed
US-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-12 US disclosed
US-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-12 US disclosed
EP-2907514-A1 Purine derivative compounds for medical use Manros Therapeutics (FR) 2015-08-19 EP disclosed
CN-1675213-A Novel purine derivatives CYCLACEL LTD (GB) 2005-09-28 CN disclosed
CN-1675211-A New purine derivatives CYCLACEL LTD (GB) 2005-09-28 CN disclosed
EP-1399446-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LTD (GB) 2005-08-03 EP disclosed
EP-1534708-A2 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Cyclacel Limited (GB) 2005-06-01 EP disclosed
EP-1529047-A2 NEW PURINE DERIVATIVES Cyclacel Limited (GB) 2005-05-11 EP disclosed
US-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-01-13 US disclosed
EP-1399446-A1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2004-03-24 EP disclosed
WO-2004016612-A2 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2004-02-26 WO disclosed
WO-2004016613-A2 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS CYCLACEL LIMITED (GB) 2004-02-26 WO disclosed
WO-2003002565-A1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE N THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2003-01-09 WO 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 (4 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-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE MSR1, TPMT, M6PR TDP1 1645/4885KDM4E 2872/4885NPC1 752/4885
US-10561661-B2 Purine derivative compounds for medical use MSR1, TPMT, M6PR TDP1 1645/4885KDM4E 2872/4885NPC1 752/4885
US-10519160-B2 Imaging agents for neural flux SLC18A2, SLC18A3, PMP22 TDP1 1230/4885KDM4E 4777/4885NPC1 31/4885
US-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders TYMP, PNP, IMPDH1 TDP1 389/4885KDM4E 989/4885NPC1 1399/4885

“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.