SCHEMBL10876554

SCHEMBL10876554

CSc1nc(C)nc(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 1.00
HSP90AA1 P07900 7/20 0.59
ABCB1 P08183 1/20 0.37
HRH4 Q9H3N8 1/20 0.35
NUDT1 P36639 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL8071682 0.84 HSP90AB1 (0.71) HSP90AB1HSP90AA1ABCB1NUDT1ADORA2A
SCHEMBL3631158 0.84 HSP90AB1 (0.71) HSP90AB1HSP90AA1ABCB1NUDT1ADORA2A
SCHEMBL16644177 0.81 HSP90AB1 (0.67) HSP90AB1HSP90AA1ABCB1ALDH1A1SMN1; SMN2
SCHEMBL19000175 0.81 HSP90AB1 (0.67) HSP90AB1HSP90AA1ABCB1ALDH1A1SMN1; SMN2
SCHEMBL18466741 0.75 HSP90AA1 (1.00) HSP90AB1HSP90AA1ABCB1HRH4ALDH1A1
SCHEMBL36733 0.74
SCHEMBL664729 0.74
SCHEMBL14020366 0.73 HSP90AB1 (0.58) HSP90AB1HSP90AA1ABCB1ALDH1A1ADORA2A
Ammonia Solution, Strong SCHEMBL19469409 0.72 HSP90AB1 (0.55) HSP90AB1HSP90AA1HRH4NUDT1ALDH1A1
SCHEMBL1710312 0.71 HSP90AB1 (0.56) HSP90AB1HSP90AA1ABCB1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118834325-A Acrylic ester polymer emulsion, preparation method and application 北京慕湖外加剂有限公司 2024-10-25 CN claimed
CN-111146344-A All-printed mesoscopic perovskite solar cell with aniline or oxazine ring as additive and preparation method thereof 桂林电子科技大学 2020-05-12 CN claimed
CN-118834325-A Acrylic ester polymer emulsion, preparation method and application 北京慕湖外加剂有限公司 2024-10-25 CN disclosed
CN-111146344-A All-printed mesoscopic perovskite solar cell with aniline or oxazine ring as additive and preparation method thereof 桂林电子科技大学 2020-05-12 CN disclosed
US-10029992-B2 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2018-07-24 US disclosed
US-9822105-B2 Diaminotriazine compounds as herbicides BASF SE (DE) 2017-11-21 US disclosed
US-20170247322-A1 POLYTHIOL COMPOSITION AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-08-31 US disclosed
US-20170144985-A1 DIAMINOTRIAZINE COMPOUND USEFUL AS HERBICIDE BASF SE (DE) 2017-05-25 US disclosed
US-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-04-13 US disclosed
US-20170050954-A1 Diaminotriazine Compounds as Herbicides BASF SE (DE) 2017-02-23 US disclosed
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2017-02-16 US disclosed
WO-2015155129-A1 DIAMINOTRIAZINE COMPOUND BASF SE (DE) 2015-10-15 WO disclosed
WO-2015144881-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-01 WO disclosed
US-20120277233-A1 Pyridyl-Triazine Inhibitors of Hedgehog Signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-11-01 US disclosed
US-20120277233-A1 Pyridyl-Triazine Inhibitors of Hedgehog Signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-11-01 US disclosed
WO-2010144404-A1 PYRIDIL-TRIAZINE INHIBITORS OF HEDGEHOG SIGNALING ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 WO disclosed
US-4587337-A Process for the preparation of 2-amino-s-triazines SKW TROSTBERG AKTIENGESELLSCHAFT (DE) 1986-05-06 US disclosed
EP-0071958-B1 HETEROCYCLIC SUBSTITUTED SULFONYL UREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN AGRICULTURE HOECHST AKTIENGESELLSCHAFT (DE) 1985-04-10 EP disclosed
US-4492598-A Sulfonylureas having heterocyclic substituents, and their use in agriculture HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-08 US disclosed
EP-0071958-A1 Heterocyclic substituted sulfonyl ureas, process for their preparation and their use in agriculture HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-16 EP 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 (7 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-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES DRD3, CBR3, ATL3 HSP90AB1 3712/4885HSP90AA1 3827/4885ABCB1 1298/4885
US-20170144985-A1 DIAMINOTRIAZINE COMPOUND USEFUL AS HERBICIDE DRD3, ATL3, GLRA3 HSP90AB1 3669/4885HSP90AA1 3559/4885ABCB1 1273/4885
US-20170247322-A1 POLYTHIOL COMPOSITION AND METHOD FOR PRODUCING SAME C5, MT-CO1, PHOSPHO1 HSP90AB1 3538/4885HSP90AA1 3368/4885ABCB1 2712/4885
US-10029992-B2 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 HSP90AB1 3429/4885HSP90AA1 3307/4885ABCB1 3214/4885
US-20120277233-A1 Pyridyl-Triazine Inhibitors of Hedgehog Signaling SHH, GLI1, SMO HSP90AB1 2841/4885HSP90AA1 3567/4885ABCB1 3185/4885
US-20170050954-A1 Diaminotriazine Compounds as Herbicides NR4A3, RXRB, CBR3 HSP90AB1 3604/4885HSP90AA1 3553/4885ABCB1 3574/4885
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 HSP90AB1 3430/4885HSP90AA1 3297/4885ABCB1 3210/4885

“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.