SCHEMBL8942018

SCHEMBL8942018

Nc1nc(N)n(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
MAPT P10636 1/20 0.58
LMNA P02545 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL16014624 0.88 TSHR (0.47) TSHRMAPTLMNASMN1; SMN2GLA
SCHEMBL27997527 0.84 TSHR (0.44) TSHRMAPTLMNASMN1; SMN2GLA
SCHEMBL27997292 0.80 TSHR (0.41) TSHRMAPTLMNASMN1; SMN2GLA
SCHEMBL15716766 0.79 MAPT (0.54) TSHRMAPTLMNASMN1; SMN2GLA
SCHEMBL467510 0.79 MAPT (0.39) TSHRMAPTLMNASMN1; SMN2GLA
SCHEMBL11582679 0.79 SMN1; SMN2 (0.52) TSHRMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL17686511 0.79 RAB9A (0.44) TSHRMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL15557356 0.79 RAB9A (0.57) TSHRMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL30299331 0.79 CYP11B2 (0.42) TSHRMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5924543 0.78 SMN1; SMN2 (0.57) TSHRLMNASMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4698519-A1 3,5-DIAMINOTRIAZOLE DERIVATIVES AND USES THEREOF FOR TREATING OCULAR DISEASES Centre National de la Recherche Scientifique (FR) 2026-02-25 EP claimed
WO-2024218236-A1 3,5-DIAMINOTRIAZOLE DERIVATIVES AND USES THEREOF FOR TREATING OCULAR DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-10-24 WO claimed
CN-104428289-B As the triazole compounds of antivirotic 弗·哈夫曼-拉罗切有限公司 2017-06-23 CN claimed
EP-0017012-B1 DYES AND PROCESS FOR THE GENERATION OF TINTS BASED ON OPTIONALLY SUBSTITUTED 2-AMINO-5-IMINOPYRROLENINES BAYER AG (DE) 1983-10-05 EP claimed
EP-0017012-A2 Dyes and process for the generation of tints based on optionally substituted 2-amino-5-iminopyrrolenines BAYER AG (DE) 1980-10-15 EP claimed
EP-4698519-A1 3,5-DIAMINOTRIAZOLE DERIVATIVES AND USES THEREOF FOR TREATING OCULAR DISEASES Centre National de la Recherche Scientifique (FR) 2026-02-25 EP disclosed
WO-2024218236-A1 3,5-DIAMINOTRIAZOLE DERIVATIVES AND USES THEREOF FOR TREATING OCULAR DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2024-10-24 WO disclosed
US-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION NYSNOBIO IRELAND DAC (IE) 2021-08-12 US disclosed
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2021-07-29 US disclosed
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same NYSNOBIO IRELAND DAC (IE) 2021-01-12 US disclosed
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2020-06-04 US disclosed
CN-109922802-A triazole benzamide derivatives and related compositions and methods of treatment AN2H探索有限公司 2019-06-21 CN disclosed
US-5502171-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
EP-0446731-B1 Process for the manufacture of azo dyes BAYER AG (DE) 1995-05-03 EP disclosed
EP-0446731-A2 Process for the manufacture of azo dyes BAYER AG (DE) 1991-09-18 EP disclosed
EP-0017009-B1 DYES AND TINTS BASED ON OPTIONALLY SUBSTITUTED 2-AMINO-5-IMINOPYRROLENINES BAYER AG (DE) 1983-12-28 EP disclosed
EP-0017012-B1 DYES AND PROCESS FOR THE GENERATION OF TINTS BASED ON OPTIONALLY SUBSTITUTED 2-AMINO-5-IMINOPYRROLENINES BAYER AG (DE) 1983-10-05 EP disclosed
EP-0017009-A2 Dyes and tints based on optionally substituted 2-amino-5-iminopyrrolenines BAYER AG (DE) 1980-10-15 EP disclosed
EP-0017012-A2 Dyes and process for the generation of tints based on optionally substituted 2-amino-5-iminopyrrolenines BAYER AG (DE) 1980-10-15 EP disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (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-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION TP53, RB1, CDK1 TSHR 2732/4885MAPT 3369/4885LMNA 1905/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 TSHR 2615/4885MAPT 1670/4885LMNA 1956/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 TSHR 2615/4885MAPT 1670/4885LMNA 1956/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 TSHR 2615/4885MAPT 1670/4885LMNA 1956/4885

“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.