SCHEMBL23344505

SCHEMBL23344505

CSc1ccc(NC(=O)Nc2cc3ncc(Sc4ccccc4)nc3nc2C)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.86
▸ HTR2C P28335 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ MAPT P10636 8/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ POLB P06746 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ GBA1 P04062 1/20 0.43
▸ FPR2 P25090 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL23326232 0.84 PIK3CA (0.64) PIK3CAHTR2CHTR2BMAPTNPC1
SCHEMBL23344439 0.84 PIK3CA (0.76) PIK3CAMAPTNPC1RAB9AMEN1
SCHEMBL23344471 0.82 PIK3CA (0.79) PIK3CAMAPTNPC1RAB9AMEN1
SCHEMBL23344479 0.81 PIK3CA (0.71) PIK3CAMAPTNPC1RAB9AMEN1
SCHEMBL23344490 0.75 PIK3CA (0.65) PIK3CAMEN1KMT2A
SCHEMBL23344453 0.75 PIK3CA (0.68) PIK3CAMAPTNPC1RAB9AMEN1
SCHEMBL23344464 0.74 PIK3CA (0.63) PIK3CAMAPTHSD17B10LMNA
SCHEMBL23344489 0.73 PIK3CA (0.65) PIK3CAMAPTNPC1RAB9AMEN1
SCHEMBL23344436 0.72 PIK3CA (0.52) PIK3CAMAPTNPC1RAB9AMEN1
SCHEMBL23344480 0.72 PIK3CA (0.64) PIK3CAMAPTNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117894-B2 Pyridopyrazine compounds and uses thereof CITY OF HOPE (US) 2021-09-14 — — US disclosed
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2021-05-13 — — 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 (2 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-11117894-B2 Pyridopyrazine compounds and uses thereof PDXK, DPYD, PNPO PIK3CA 1262/4885HTR2C 402/4885HTR2B 499/4885
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF PDXK, DPYD, PNPO PIK3CA 1262/4885HTR2C 402/4885HTR2B 499/4885

“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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