SCHEMBL24414579

SCHEMBL24414579

Cn1cnc(Cn2ccc3ccc(C#N)cc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 7/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ TSHR P16473 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CDK2 P24941 4/20 0.40
▸ USP2 O75604 2/20 0.40
▸ MAP3K14 Q99558 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PRMT5 O14744 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KRAS P01116 1/20 0.36
▸ SOS1 Q07889 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ HTR7 P34969 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
SCHEMBL30991791 1.00 CDC7 (0.41) CDC7ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL24414575 0.79 CDC7 (0.41) CDC7ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL30991780 0.79 KRAS (0.42) TSHRKMT2AKRASSOS1HTR7
SCHEMBL24414580 0.79 KRAS (0.42) TSHRKMT2AKRASSOS1HTR7
SCHEMBL29587634 0.79 CDC7 (0.41) CDC7ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL25423499 0.78 ALDH1A1 (0.42) CDC7ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL25424064 0.77 ALDH1A1 (0.40) CDC7ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL30487727 0.77 ALDH1A1 (0.42) CDC7ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL29288341 0.77 HTR2C (0.39) TSHRKRASSOS1HTR7BRD4
SCHEMBL25424956 0.76 ALDH1A1 (0.46) CDC7ALDH1A1TSHRKDM4EHSD17B10

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-20220144810-A1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-12 — — 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-20220144810-A1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS NRAS, RASSF5, KRAS CDC7 976/4885ALDH1A1 1281/4885TSHR 2845/4885

“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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