SCHEMBL334383

SCHEMBL334383

CC(C)(NC(=O)O)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
KDM4C Q9H3R0 1/20 0.44
IMPDH2 P12268 1/20 0.43
RAB9A P51151 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
MAPKAPK2 P49137 1/20 0.41
NAPRT Q6XQN6 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
BRS3 P32247 1/20 0.39
MAPT P10636 1/20 0.39
PDE2A O00408 1/20 0.38
P2RX7 Q99572 1/20 0.38
CYP19A1 P11511 1/20 0.38
SSTR4 P31391 1/20 0.38
PKM P14618 1/20 0.38

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
Methyl Carbamate SCHEMBL29516831 0.90 ROCK2 (0.40) ROCK2ROCK1KDM4CIMPDH2RAB9A
SCHEMBL10921467 0.85 SSTR4 (0.43) RAB9APOLBSMN1; SMN2MAPTPDE2A
SCHEMBL935057 0.81 SSTR4 (0.53) ROCK2ROCK1KDM4CIMPDH2KDM4E
SCHEMBL1515528 0.79 TRPV1 (0.44) ROCK2ROCK1KDM4CIMPDH2RAB9A
SCHEMBL8446830 0.79 NPC1 (0.48) RAB9APOLBHPGDSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4323383 0.79 SSTR4 (0.51) ROCK2ROCK1KDM4CIMPDH2KDM4E
SCHEMBL22772342 0.78 ESR1 (0.48) HPGDKDM4EALDH1A1MAPTSSTR4
SCHEMBL2884007 0.76 TPMT (0.40) RAB9ATRPV1POLBMAPTPDE2A
SCHEMBL1933209 0.76 PDE2A (0.46) RAB9APOLBSMN1; SMN2ALDH1A1PDE2A
SCHEMBL529254 0.76 EPHX2 (0.42) RAB9APOLBHPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 EP claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3209648-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2020-03-11 EP claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP claimed
EP-1567497-B1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2009-09-23 EP claimed
US-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2008-02-14 US claimed
CN-111936487-B Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-07-09 CN disclosed
CN-112312909-B Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-07-02 CN disclosed
CN-113710660-B DOT1L degradation agent and application thereof 达纳-法伯癌症研究公司 2024-07-02 CN disclosed
CN-117751114-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-22 CN disclosed
WO-2010149688-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2010-12-29 WO disclosed
US-20100292163-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2010-11-18 US disclosed
EP-2231695-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2010-09-29 EP disclosed
WO-2009077401-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-06-25 WO disclosed
US-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2008-02-14 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-20100292163-A1 Antitumoral Compounds TP53, XPO1, TOP2B ROCK2 3378/4885ROCK1 2347/4885KDM4C 4391/4885
US-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE P2RY4, INA, PMP22 ROCK2 3346/4885ROCK1 2744/4885KDM4C 22/4885

“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.