SCHEMBL2635866

SCHEMBL2635866

COc1cc(NC(=O)O)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
EGFR P00533 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL22658687 0.85 TDP1 (0.41) KMT2ALMNANPSR1MAPTCYP1A2
SCHEMBL65972 0.84 ALDH1A1 (0.48) CYP1A2CYP2C19CYP2C9SMN1; SMN2IMPDH2
SCHEMBL20641495 0.84 SMN1; SMN2 (0.49) KMT2AMEN1LMNAMAPTCYP1A2
SCHEMBL31061614 0.84 ALDH1A1 (0.48) CYP1A2CYP2C19CYP2C9SMN1; SMN2IMPDH2
SCHEMBL16371220 0.81 AAK1 (0.46) LMNAMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL3726907 0.81 CXCR2 (0.41) KMT2ASMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL10325839 0.81 EPHX1 (0.39) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL18797059 0.81 PDGFRB (0.41) KMT2AMEN1CXCR2
SCHEMBL31264717 0.80 POLB (0.40) KMT2AMEN1LMNANPSR1MAPT
SCHEMBL1824550 0.80 EGFR (0.39) LMNANPSR1MAPTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3252050-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
EP-3252050-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed
EP-3252049-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP disclosed
US-9708337-B2 Aryl amide-based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
EP-2945943-A2 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2015-11-25 EP disclosed
WO-2015006100-A1 ARYL AMIDE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
WO-2015002926-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-08 WO disclosed
WO-2015002915-A1 TRICYCLIC PYRI DO-CARBOXAM I D E DERIVATIVES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-08 WO disclosed
WO-2014130258-A1 5H-CHROMENO[3,4-C]PYRIDINES AS INHIBITORS OF ADAPTOR ASSOCIATED KINASE 1 (AAK1) BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-28 WO disclosed
WO-2014113620-A2 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-24 WO disclosed
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP disclosed
US-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US 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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 KMT2A 1055/4885MEN1 3972/4885LMNA 3330/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 KMT2A 1107/4885MEN1 3993/4885LMNA 3218/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 KMT2A 1167/4885MEN1 572/4885LMNA 1724/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 KMT2A 1167/4885MEN1 572/4885LMNA 1724/4885

“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.