SCHEMBL17399657

SCHEMBL17399657

Cc1ccc(N)nc1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.52
NOS2 P35228 3/20 0.52
NOS1 P29475 2/20 0.52
KDM4E B2RXH2 4/20 0.38
USP8 P40818 1/20 0.38
PIK3CD O00329 1/20 0.37
HTT P42858 3/20 0.36
NCK1 P16333 1/20 0.35
BACE1 P56817 1/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
AGTR1 P30556 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 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
SCHEMBL31167609 0.78 ALDH1A1 (0.41) NOS3NOS2NOS1KDM4EUSP8
SCHEMBL1428052 0.78 ALDH1A1 (0.41) NOS3NOS2NOS1KDM4EUSP8
SCHEMBL9426003 0.77 USP30 (0.39) KDM4EUSP8TSHRGAAALDH1A1
SCHEMBL929272 0.77 KMT2A (0.42) KDM4EUSP8HTTTSHRRAB9A
SCHEMBL21928126 0.76 NQO1 (0.39) KDM4EUSP8TSHRGAAALDH1A1
SCHEMBL28018027 0.76 PIK3CD (0.38) NOS3NOS2NOS1KDM4EUSP8
SCHEMBL24417209 0.74 USP8 (0.36) KDM4EUSP8TSHRGAARAB9A
SCHEMBL913934 0.74 BACE1 (0.39) NOS3NOS2NOS1KDM4EUSP8
SCHEMBL22129397 0.74 CHEK1 (0.34) KDM4EUSP8TSHRLMNAGAA
SCHEMBL559359 0.74 NOS3 (0.52) NOS3NOS2NOS1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948025-A Heterocyclic SIK inhibitors 辉瑞大药厂 2025-05-06 CN 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-11174265-B2 2021-11-16 US disclosed
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-07-29 US disclosed
EP-3848370-A2 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2021-07-14 EP disclosed
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10793574-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-10-06 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 US disclosed
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-19 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 WO disclosed
WO-2018071794-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-19 WO disclosed
US-9556203-B2 Conformationally restricted P13K and mTOR inhibitors PIQUR THERAPEUTICS AG (CH) 2017-01-31 US disclosed
US-9556203-B2 Conformationally restricted P13K and mTOR inhibitors PIQUR THERAPEUTICS AG (CH) 2017-01-31 US disclosed
US-20160244463-A1 CONFORMATIONALLY RESTRICTED P13K AND MTOR INHIBITORS TORQUR AG (CH) 2016-08-25 US disclosed
US-20160244463-A1 CONFORMATIONALLY RESTRICTED P13K AND MTOR INHIBITORS TORQUR AG (CH) 2016-08-25 US disclosed
US-9248187-B2 Oxadiazole inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
EP-2606045-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP 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 (11 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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 4412/4885NOS2 4218/4885NOS1 4483/4885
US-10793574-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NOS3 4412/4885NOS2 4218/4885NOS1 4483/4885
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 4412/4885NOS2 4218/4885NOS1 4483/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 4412/4885NOS2 4218/4885NOS1 4483/4885
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 4412/4885NOS2 4218/4885NOS1 4483/4885
US-11174265-B2 TYK2, JAK2, JAK1 NOS3 3882/4885NOS2 3673/4885NOS1 4226/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 4412/4885NOS2 4218/4885NOS1 4483/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NOS3 4412/4885NOS2 4218/4885NOS1 4483/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS3 4412/4885NOS2 4218/4885NOS1 4483/4885
US-20160244463-A1 CONFORMATIONALLY RESTRICTED P13K AND MTOR INHIBITORS MTOR, RICTOR, PIK3R4 NOS3 2476/4885NOS2 3574/4885NOS1 3291/4885

“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.