SCHEMBL20760623

SCHEMBL20760623

O=C(c1ccc(F)cc1)c1cnc(C2=CCNCC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ SCN9A Q15858 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ VNN1 O95497 3/20 0.40
▸ HTR6 P50406 3/20 0.40
▸ CDK9 P50750 4/20 0.39
▸ CCNT1 O60563 3/20 0.39
▸ QDPR P09417 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR7 P34969 1/20 0.37

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
SCHEMBL20760832 0.86 VNN1 (0.44) VNN1HTR6CDK9CCNT1QDPR
SCHEMBL20760419 0.84 CDK9 (0.45) SCN9AHTR6CDK9CCNT1HTR2A
SCHEMBL29766145 0.83 RXFP1 (0.48) RXFP1VNN1HTR6PDE10AHTR2C
SCHEMBL20760556 0.83 CCNT1 (0.41) VNN1HTR6CDK9CCNT1SIGMAR1
SCHEMBL29766129 0.83 CCNT1 (0.41) VNN1HTR6CDK9CCNT1SIGMAR1
SCHEMBL15001472 0.79 HRH3 (0.46) HTR6CDK9CCNT1QDPRSIGMAR1
SCHEMBL29531318 0.78 GABRP (0.49) CDK9CCNT1QDPRSIGMAR1HTR2C
SCHEMBL24335744 0.73 HTR2C (0.38) SCN9AHTR6CDK9CCNT1SIGMAR1
SCHEMBL28368651 0.73 NPC1 (0.44) NPC1RXFP1LTA4HVNN1SIGMAR1
SCHEMBL18121751 0.71 HTR2C (0.53) SCN9AQDPRSIGMAR1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240010652-A1 COMPOSITIONS AND METHODS FOR TREATING KIT- AND PDGFRA-MEDIATED DISEASES BLUEPRINT MEDICINES CORPORATION 2024-01-11 — — US disclosed
CN-117098760-A Compositions and methods for treating KIT and PDGFRA mediated diseases 缆图药品公司 2023-11-21 — — CN disclosed
EP-4229060-A1 COMPOSITIONS AND METHODS FOR TREATING KIT-AND PDGFRA-MEDIATED DISEASES Blueprint Medicines Corporation (US) 2023-08-23 — — EP disclosed
CN-110891953-B Pyrrolotriazines derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2022-07-12 — — CN disclosed
WO-2022081627-A1 COMPOSITIONS AND METHODS FOR TREATING KIT-AND PDGFRA-MEDIATED DISEASES BLUEPRINT MEDICINES CORPORATION (US) 2022-04-21 — — WO disclosed
WO-2019034128-A1 PYRROLOTRIAZINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 浙江海正药业股份有限公司 2019-02-21 — — 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-20240010652-A1 COMPOSITIONS AND METHODS FOR TREATING KIT- AND PDGFRA-MEDIATED DISEASES KIT, PDGFRA, PDGFRB NPC1 294/4885RXFP1 2091/4885SCN9A 744/4885

“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.

Send feedback