SCHEMBL12872

SCHEMBL12872

Cc1ccc2[nH]ncc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.59
NOS1 P29475 4/20 0.59
MAPT P10636 3/20 0.59
ROCK1 Q13464 3/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
METAP2 P50579 1/20 0.59
CSNK2A1 P68400 1/20 0.59
MEN1 O00255 1/20 0.59
GAA P10253 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
HIF1A Q16665 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CTNNB1 P35222 1/20 0.57
WNT3A P56704 1/20 0.57
TRPA1 O75762 4/20 0.54
HTT P42858 1/20 0.54
GSK3B P49841 4/20 0.53

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
SCHEMBL29409358 1.00 ROCK2 (0.59) ROCK2NOS1MAPTROCK1KDM4E
Bromide SCHEMBL17924434 0.98 ROCK2 (0.57) ROCK2NOS1MAPTROCK1KDM4E
SCHEMBL16573980 0.84 GSK3B (0.71) ROCK2NOS1MAPTROCK1KDM4E
SCHEMBL12354 0.83 KDM4E (0.59) NOS1MAPTKDM4EALDH1A1METAP2
SCHEMBL20060303 0.83 KDM4E (0.59) NOS1MAPTKDM4EALDH1A1METAP2
SCHEMBL13680578 0.80 GSK3B (0.70) ROCK2ROCK1CSNK2A1TRPA1GSK3B
SCHEMBL29627018 0.79 CDK2 (0.47) ROCK2NOS1MAPTROCK1KDM4E
SCHEMBL27537145 0.79 GSK3B (0.64) ROCK2NOS1MAPTROCK1KDM4E
SCHEMBL14349688 0.79 IDO1 (0.42) MAPTKDM4EALDH1A1HPGDMETAP2
SCHEMBL15344157 0.76 GSK3B (0.57) ROCK2ROCK1METAP2CSNK2A1TRPA1

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 1350 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017160361-A1 POLYISOCYANURATE CATALYSTS FOR METAL PANELS AND SPRAY FOAMS HUNTSMAN PETROCHEMICAL LLC (US) 2017-09-21 WO claimed
EP-3057949-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP claimed
WO-2015057206-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO claimed
EP-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 EP claimed
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US claimed
EP-0904769-A1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method L'OREAL (FR) 1999-03-31 EP claimed
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US claimed
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP claimed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US claimed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US claimed
WO-1997008150-A1 SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-06 WO claimed
WO-1996029329-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-26 WO claimed
US-5559110-A HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-24 US claimed
US-4105656-A PROCESS FOR PREPARING 3-N-MONOSUBSTITUTED AMINO-4-SUBSTITUTED-5-PYRAZOLONES FUJI PHOTO FILM CO., LTD. (JP) 1978-08-08 US claimed
US-20260060961-A1 SUBSTITUTED HETEROCYCLES AS RAS INHIBITORS JAZZ PHARMACEUTICALS IRELAND LTD (IE) 2026-03-05 US disclosed
WO-2025242880-A1 THERAPEUTIC COMPOUNDS AND THEIR USE MY-T BIO LIMITED (GB) 2025-11-27 WO disclosed
US-20250353851-A1 PURINES AND METHODS OF THEIR USE KINETA INC (US) 2025-11-20 US disclosed
US-4585725-A STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1986-04-29 US disclosed
EP-0137223-A2 Photographic image-receiving element for silver salt diffusion transfer process FUJI PHOTO FILM CO., LTD. (JP) 1985-04-17 EP disclosed
US-4105656-A PROCESS FOR PREPARING 3-N-MONOSUBSTITUTED AMINO-4-SUBSTITUTED-5-PYRAZOLONES FUJI PHOTO FILM CO., LTD. (JP) 1978-08-08 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 (2 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-20260060961-A1 SUBSTITUTED HETEROCYCLES AS RAS INHIBITORS KRAS, NRAS, HRAS ROCK2 200/4885NOS1 3015/4885MAPT 4696/4885
US-20250353851-A1 PURINES AND METHODS OF THEIR USE TDP1, TDP2, PIKFYVE ROCK2 3281/4885NOS1 4048/4885MAPT 164/4885

“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.