SCHEMBL19375825

SCHEMBL19375825

NNc1cn(-c2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 5/20 0.41
▸ WDR5 P61964 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.41
▸ OTUD7B Q6GQQ9 1/20 0.40
▸ PAK4 O96013 1/20 0.39
▸ NPY5R Q15761 3/20 0.38
▸ USP30 Q70CQ3 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CPB1 P15086 2/20 0.38
▸ CPB2 Q96IY4 2/20 0.38
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ CYP2E1 P05181 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35

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
Hydrochloric Acid SCHEMBL19358461 0.98 ACVR1 (0.40) ACVR1WDR5NPC1RAB9ANLRP3
SCHEMBL5378517 0.81 ACVR1 (0.44) ACVR1WDR5NPC1RAB9ANLRP3
SCHEMBL27567730 0.74 HSD17B10 (0.53) WDR5NPC1RAB9AOTUD7BNPY5R
SCHEMBL5366202 0.74 NPC1 (0.44) NPC1RAB9ANLRP3CYP3A4CPB1
Hydrochloric Acid SCHEMBL17398081 0.72 NPC1 (0.43) NPC1RAB9ANLRP3CYP3A4CPB1
SCHEMBL23719175 0.72 NPC1 (0.54) NPC1RAB9AOTUD7BNPY5RUSP30
SCHEMBL20243504 0.71 ACVR1 (0.46) ACVR1NPC1RAB9A
SCHEMBL20259839 0.71 CYP1A2 (0.50) ACVR1NPC1RAB9APAK4
SCHEMBL6213955 0.70 OTUD7B (0.46) WDR5OTUD7BNPY5RUSP30CPB1
SCHEMBL14481632 0.69 NPC1 (0.44) ACVR1NPC1RAB9ANLRP3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (AE) 2021-07-22 — — US disclosed
EP-3430012-B1 4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBONITRILE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 — — EP disclosed
WO-2017158381-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TRATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-09-21 — — 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 (1 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-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER USP7, USP1, USP3 ACVR1 4062/4885WDR5 284/4885NPC1 3354/4885

“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.

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