SCHEMBL7119605

SCHEMBL7119605

Cc1nnc(-c2ccc(N)cc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.45
ALDH1A1 P00352 8/20 0.42
MAPT P10636 7/20 0.42
NPC1 O15118 7/20 0.42
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
KDM4E B2RXH2 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
GFER P55789 5/20 0.42
POLB P06746 5/20 0.42
HPGD P15428 5/20 0.42
GLA P06280 4/20 0.42
TP53 P04637 4/20 0.42
HSD17B10 Q99714 4/20 0.42
GAA P10253 4/20 0.42
RXFP1 Q9HBX9 3/20 0.42
RECQL P46063 2/20 0.42
TNKS O95271 2/20 0.41
PARP1 P09874 2/20 0.41

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
SCHEMBL11587705 0.84 ALDH1A1 (0.50) RPS6KA3ALDH1A1MAPTNPC1MEN1
SCHEMBL417139 0.83 NISCH (0.45) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL419320 0.80 RAB9A (0.44) ALDH1A1MAPTNPC1KDM4ERAB9A
SCHEMBL416642 0.79 POLB (0.56) MAPTNPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL415765 0.79 MAPK1 (0.47) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL823787 0.79 MAPK13 (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2304276 0.79 POLB (0.39) MAPTNPC1RAB9APOLBGAA
SCHEMBL416435 0.78 POLB (0.60) ALDH1A1MAPTNPC1KDM4ERAB9A
SCHEMBL420012 0.77 MGAM (0.43) ALDH1A1MAPTNPC1KDM4ERAB9A
SCHEMBL414390 0.76 HDAC6 (0.47) ALDH1A1NPC1KMT2AKDM4ERAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD. (CN) 2022-12-06 US disclosed
EP-3998263-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-05-18 EP disclosed
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MACROGEN INC. (KR) 2021-05-06 US disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
US-20190050525-A1 RIESKE-TYPE OXYGENASE/REDUCTASE TARGETED DRUGS FOR DIAGNOSTIC AND TREATMENT OF DISEASES PSOMAGEN, INC. 2019-02-14 US disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
US-20160272617-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-22 US disclosed
WO-2016131381-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2016-08-25 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
WO-2003035615-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 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 (4 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-20160272617-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT RPS6KA3 3145/4885ALDH1A1 1093/4885MAPT 2938/4885
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MAOA, PNMT, HNMT RPS6KA3 4501/4885ALDH1A1 959/4885MAPT 185/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 RPS6KA3 497/4885ALDH1A1 1376/4885MAPT 3263/4885
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof TFPI, TFPI2, F11 RPS6KA3 3816/4885ALDH1A1 3573/4885MAPT 3846/4885

“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.