SCHEMBL9607760

SCHEMBL9607760

Cc1ccc(N)nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.52
NOS2 P35228 3/20 0.52
NOS1 P29475 1/20 0.52
BACE1 P56817 3/20 0.40
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
NCK1 P16333 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HTT P42858 4/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
AGTR1 P30556 1/20 0.35
RAB9A P51151 1/20 0.35
GABRP O00591 1/20 0.34

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
SCHEMBL15429556 0.80 NOS2 (0.54) NOS3NOS2NOS1BACE1KDM4E
SCHEMBL16274520 0.78 XPO1 (0.40) NOS3NOS2NOS1KDM4EALDH1A1
SCHEMBL22400174 0.78 GABRP (0.40) NOS3NOS2NOS1BACE1KDM4E
SCHEMBL19633793 0.77 CCR1 (0.39) KDM4EALDH1A1KMT2AHSP90AA1HSP90AB1
SCHEMBL19450884 0.76 HSP90AA1 (0.36) KDM4EALDH1A1HSP90AA1HSP90AB1HTT
SCHEMBL16274507 0.76 HTT (0.33) HTTGAA
SCHEMBL503229 0.74 BACE1 (0.40) NOS3NOS2NOS1BACE1KDM4E
SCHEMBL21861634 0.74 BACE1 (0.40) NOS3NOS2NOS1BACE1KDM4E
SCHEMBL19456705 0.74 BACE1 (0.40) NOS3NOS2NOS1BACE1KDM4E
SCHEMBL1256440 0.74 BACE1 (0.40) NOS3NOS2NOS1BACE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848370-B1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2025-05-07 EP disclosed
CN-115448916-A TYK2 inhibitor and application thereof 林伯士拉克许米公司 2022-12-09 CN disclosed
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD. (CN) 2022-12-06 US disclosed
CN-109952303-B TYK2 inhibitor and application thereof 林伯士拉克许米公司 2022-10-21 CN disclosed
EP-3526222-B1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI INC (US) 2022-08-17 EP disclosed
EP-3998263-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-05-18 EP disclosed
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-10 US disclosed
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-10 US disclosed
US-11220508-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2022-01-11 US disclosed
US-11220508-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2022-01-11 US disclosed
EP-2207781-B1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2012-11-28 EP disclosed
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-05-31 US disclosed
US-8158624-B2 Purine PI3K inhibitor compounds and methods of use GENETECH, INC. (US) 2012-04-17 US disclosed
US-8158626-B2 Thiazolopyrimidine PI3K inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2012-04-17 US disclosed
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2012-02-09 US disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 US disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
US-20110112085-A1 THIAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-05-12 US disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
WO-2009146406-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-12-03 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 (9 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-11220508-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NOS3 4412/4885NOS2 4218/4885NOS1 4483/4885
US-20110112085-A1 THIAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB NOS3 3529/4885NOS2 3965/4885NOS1 3883/4885
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG NOS3 2723/4885NOS2 3335/4885NOS1 2543/4885
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA NOS3 1495/4885NOS2 2419/4885NOS1 2051/4885
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG NOS3 2723/4885NOS2 3335/4885NOS1 2543/4885
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof TFPI, TFPI2, F11 NOS3 3789/4885NOS2 2771/4885NOS1 1815/4885
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA NOS3 3442/4885NOS2 4180/4885NOS1 3756/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 4412/4885NOS2 4218/4885NOS1 4483/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB NOS3 2582/4885NOS2 3115/4885NOS1 3015/4885

“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.