SCHEMBL91440

SCHEMBL91440

CCc1ccc2c(c1)NCC2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
GFER P55789 1/20 0.43
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
PARP1 P09874 2/20 0.39
S1PR1 P21453 1/20 0.39
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
TRPA1 O75762 1/20 0.36
NISCH Q9Y2I1 2/20 0.36
PARP10 Q53GL7 1/20 0.36
MAPK10 P53779 1/20 0.35
RIPK1 Q13546 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
Hydrochloric Acid SCHEMBL1426114 0.98 SMN1; SMN2 (0.49) SMN1; SMN2GFERDRD2DRD4PARP1
SCHEMBL11924453 0.89 KDM4E (0.43) SMN1; SMN2GFERPARP1
SCHEMBL10226464 0.89 KDM4E (0.46) SMN1; SMN2GFERPARP1
SCHEMBL4190017 0.85 SMN1; SMN2 (0.51) SMN1; SMN2GFERDRD2DRD4PARP1
SCHEMBL395752 0.85 DRD2 (0.53) SMN1; SMN2DRD2DRD4S1PR1JAK2
SCHEMBL8648722 0.82 MLNR (0.46) SMN1; SMN2GFERDRD2NISCH
SCHEMBL13548843 0.81 SMN1; SMN2 (0.44) SMN1; SMN2GFERDRD2DRD4S1PR1
SCHEMBL27610259 0.81 SMN1; SMN2 (0.44) SMN1; SMN2DRD2S1PR1
SCHEMBL8892613 0.81 SMN1; SMN2 (0.43) SMN1; SMN2GFERDRD2DRD4PARP1
SCHEMBL13369061 0.81 SMN1; SMN2 (0.43) SMN1; SMN2GFERDRD2DRD4PARP1

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
CN-1907253-A Composition comprising amino heterocyclic compound for hair dyeing and dyeing method SU JIANHUA (CN) 2007-02-07 CN claimed
US-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-01-26 US disclosed
US-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 US disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 WO disclosed
EP-3772513-A1 SHP2 INHIBITORS C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2021-02-10 EP disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 US disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
WO-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-7662830-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2010-02-16 US disclosed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20090054425-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US disclosed
CN-1907253-A Composition comprising amino heterocyclic compound for hair dyeing and dyeing method SU JIANHUA (CN) 2007-02-07 CN disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 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-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives PIGS, HRH4, GPR35 SMN1; SMN2 2933/4885GFER 4233/4885DRD2 724/4885
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 SMN1; SMN2 4343/4885GFER 2032/4885DRD2 4370/4885
US-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 CPS1, CPSF1, CPSF7 SMN1; SMN2 3905/4885GFER 3496/4885DRD2 4521/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 SMN1; SMN2 4840/4885GFER 1096/4885DRD2 4668/4885
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES PIGS, GPR174, GPR17 SMN1; SMN2 2096/4885GFER 3798/4885DRD2 1106/4885
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC3 SMN1; SMN2 1868/4885GFER 4016/4885DRD2 4380/4885
US-20090054425-A1 PROTEIN KINASE INHIBITORS SYK, JAK2, BTK SMN1; SMN2 3047/4885GFER 2866/4885DRD2 2368/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS SMN1; SMN2 3581/4885GFER 3699/4885DRD2 4760/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 SMN1; SMN2 4150/4885GFER 2077/4885DRD2 4697/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 SMN1; SMN2 1691/4885GFER 4166/4885DRD2 4484/4885
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG SMN1; SMN2 3550/4885GFER 3081/4885DRD2 1731/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 SMN1; SMN2 4098/4885GFER 4003/4885DRD2 4687/4885

“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.