SCHEMBL25823754

SCHEMBL25823754

Cc1nc(N[C@H](C)c2cc(N)cc(C(C)(F)F)c2)c2cc(C3=CCOCC3)c(=O)[nH]c2n1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 20/20 0.69
KRAS P01116 6/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 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
SCHEMBL24096437 0.94 SOS1 (0.77) SOS1KRASCYP3A4CYP2C8CYP2D6
SCHEMBL25296369 0.94 SOS1 (0.77) SOS1KRASCYP3A4CYP2C8CYP2D6
SCHEMBL25823751 0.83 SOS1 (0.64) SOS1KRAS
SCHEMBL23326445 0.82 SOS1 (1.00) SOS1KRAS
SCHEMBL23326442 0.82 SOS1 (1.00) SOS1KRAS
SCHEMBL25823842 0.80 SOS1 (0.61) SOS1KRAS
SCHEMBL23326372 0.79 SOS1 (1.00) SOS1KRAS
SCHEMBL23326371 0.79 SOS1 (1.00) SOS1KRAS
SCHEMBL25141081 0.78 SOS1 (0.55) SOS1KRASCYP3A4CYP2C8CYP2D6
SCHEMBL23411941 0.78 SOS1 (0.69) SOS1KRASCYP3A4CYP2C8CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219951-A1 PYRIDINE-PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 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 (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-20230219951-A1 PYRIDINE-PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF WEE1, SOS1, HINT1 SOS1 2/4885KRAS 297/4885CYP3A4 795/4885

“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.