SCHEMBL972452

SCHEMBL972452

CCOc1ccc(Cl)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
NPC1 O15118 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
TP53 P04637 3/20 0.50
CYP3A4 P08684 2/20 0.50
NQO1 P15559 1/20 0.50
DRD4 P21917 1/20 0.49
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL30595744 1.00 KMT2A (0.55) KMT2AMEN1NPC1APOBEC3GMAPT
SCHEMBL3786884 0.85 MAPT (0.55) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL3785877 0.85 DRD4 (0.54) KMT2ANPC1MAPTTSHRTP53
SCHEMBL1876235 0.84 KMT2A (0.59) KMT2AMEN1NPC1APOBEC3GMAPT
SCHEMBL5952240 0.81 MEN1 (0.66) KMT2AMEN1NPC1APOBEC3GMAPT
SCHEMBL30646246 0.81 MEN1 (0.66) KMT2AMEN1NPC1APOBEC3GMAPT
SCHEMBL1548013 0.81 KDM4E (0.58) KMT2AMEN1NPC1APOBEC3GMAPT
SCHEMBL29684116 0.79 DRD4 (0.52) MAPTALDH1A1LMNATSHRTDP1
Ammonia Solution, Strong SCHEMBL9517722 0.79 MEN1 (0.63) KMT2AMEN1NPC1APOBEC3GMAPT
Hydrochloric Acid SCHEMBL11702133 0.79 MEN1 (0.63) KMT2AMEN1NPC1APOBEC3GMAPT

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same OPTIKIRA LLC (US) 2023-10-19 US disclosed
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same OPTIKIRA LLC (US) 2023-10-19 US disclosed
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same OPTIKIRA LLC (US) 2023-10-19 US disclosed
EP-4192462-A1 PYRAZOLOPYRIDINE COMPOUNDS AND METHODS OF INHIBITING IRE1 USING SAME Optikira LLC (US) 2023-06-14 EP disclosed
WO-2022032078-A1 PYRAZOLOPYRIDINE COMPOUNDS AND METHODS OF INHIBITING IRE1 USING SAME Optikira, LLC (US) 2022-02-10 WO disclosed
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP disclosed
EP-3475276-B1 THIAZOLE DERIVATIVES USEFUL AS MUTANT IDH1 INHIBITORS FOR TREATING CANCER US HEALTH (US) 2021-03-31 EP disclosed
US-10836759-B2 Thiazole derivatives useful as mutant IDH1 inhibitors for treating cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2020-11-17 US disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-20190241551-A1 THIAZOLE DERIVATIVES USEFUL AS MUTANT IDH1 INHIBITORS FOR TREATING CANCER THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2019-08-08 US disclosed
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE USA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-03-07 US disclosed
EP-2217602-B1 1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2018-08-29 EP disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 WO disclosed
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-4250090-A COLORFASTNESS; WETFASTNESS; ACID AZO DYES BASF AKTIENGESELLSCHAFT (DE) 1981-02-10 US disclosed
US-4079052-A Diazopigments containing pyridine derivatives CIBA-GEIGY CORPORATION (US) 1978-03-14 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 (7 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-10836759-B2 Thiazole derivatives useful as mutant IDH1 inhibitors for treating cancer IDH1, IDH2, IDH3B KMT2A 984/4885MEN1 21/4885NPC1 2713/4885
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS PDE9A, PDE7A, PDE1C KMT2A 1720/4885MEN1 1111/4885NPC1 961/4885
US-20190241551-A1 THIAZOLE DERIVATIVES USEFUL AS MUTANT IDH1 INHIBITORS FOR TREATING CANCER IDH1, IDH2, IDH3B KMT2A 984/4885MEN1 21/4885NPC1 2713/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KMT2A 1474/4885MEN1 174/4885NPC1 724/4885
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same XBP1, ERN1, ERN2 KMT2A 3798/4885MEN1 3460/4885NPC1 2038/4885
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER IDH1, IDH3B, IDH3A KMT2A 221/4885MEN1 81/4885NPC1 3863/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A KMT2A 221/4885MEN1 81/4885NPC1 3863/4885

“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.