SCHEMBL25120811

SCHEMBL25120811

Nc1cn(C(=O)Nc2ccccc2)nc1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.45
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ ATM Q13315 1/20 0.42
▸ EPHX2 P34913 2/20 0.42
▸ EPHX1 P07099 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL22246773 0.81 MERTK (0.37) RAB9AEPHX2EPHX1MEN1KMT2A
SCHEMBL25120757 0.67 HPGD (0.42) HPGDSMN1; SMN2RAB9ATP53CCNE1
SCHEMBL23719136 0.66 EPHX1 (0.49) ATRHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL3433977 0.63 SMN1; SMN2 (0.65) HPGDSMN1; SMN2RAB9ANPC1TP53
SCHEMBL28798411 0.62 ATM (0.68) HPGDSMN1; SMN2RAB9ANPC1TP53
SCHEMBL19703413 0.62 HPGD (1.00) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL1300190 0.62 HPGD (1.00) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL4051171 0.62 RAB9A (0.69) SMN1; SMN2RAB9ANPC1KDM4EMEN1
SCHEMBL420582 0.62 RAB9A (0.69) SMN1; SMN2RAB9ANPC1KDM4EMEN1
SCHEMBL15652085 0.62 MAP4K4 (0.35) KDM4ECDK2ALDH1A1TSHR

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-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 — — 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-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 ATR 241/4885HPGD 3415/4885SMN1; SMN2 2644/4885

“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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