SCHEMBL17036640

SCHEMBL17036640

CC(C)(C)Nc1cccnn1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.54
FFAR2 O15552 1/20 0.36
ATM Q13315 1/20 0.34
P2RX7 Q99572 1/20 0.33
LCK P06239 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
DOT1L Q8TEK3 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30

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
SCHEMBL26324947 0.81 GOT1 (0.38) GOT1FFAR2
SCHEMBL84649 0.75
SCHEMBL29163817 0.74 GOT1 (0.65) GOT1FFAR2P2RX7LCKSIRT2
SCHEMBL17700270 0.74 GOT1 (0.48) GOT1FFAR2P2RX7JAK2JAK1
SCHEMBL25522581 0.73 GOT1 (0.33) GOT1FFAR2
SCHEMBL7448182 0.71 MEN1 (0.50) ATM
SCHEMBL6703282 0.71 GOT1 (0.50) GOT1FFAR2P2RX7LCK
SCHEMBL21743166 0.71 L3MBTL1 (0.47) GOT1FFAR2P2RX7SIRT2
SCHEMBL11636276 0.70
SCHEMBL697154 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-11760761-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-11760761-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2021-08-19 US disclosed
US-11021462-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 US disclosed
US-10660876-B2 Amino compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-26 US disclosed
US-20190152948-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2019-05-23 US disclosed
US-20180177761-A1 AMINO COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 US disclosed
US-20170189410-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-07-06 US disclosed
US-9598446-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 US disclosed
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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 (12 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-11021462-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 GOT1 2827/4885FFAR2 1485/4885ATM 857/4885
US-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 GOT1 2827/4885FFAR2 1485/4885ATM 857/4885
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 GOT1 2827/4885FFAR2 1485/4885ATM 857/4885
US-11760761-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 GOT1 51/4885FFAR2 3945/4885ATM 2274/4885
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH GOT1 1560/4885FFAR2 3333/4885ATM 1200/4885
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 GOT1 3185/4885FFAR2 2361/4885ATM 433/4885
US-10660876-B2 Amino compounds for treatment of medical disorders CFD, CFH, F12 GOT1 1180/4885FFAR2 2338/4885ATM 1329/4885
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND RAD51, FANCI, BLM GOT1 1152/4885FFAR2 4240/4885ATM 161/4885
US-20180177761-A1 AMINO COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, CFH, F12 GOT1 1180/4885FFAR2 2338/4885ATM 1329/4885
US-20190152948-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 GOT1 2827/4885FFAR2 1485/4885ATM 857/4885
US-20170189410-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 GOT1 3185/4885FFAR2 2361/4885ATM 433/4885
US-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 GOT1 123/4885FFAR2 3008/4885ATM 4841/4885

“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.