SCHEMBL23919748

SCHEMBL23919748

CCN(CCCF)c1nc2ccc(N3C[C@@H](C)N[C@@H](C)C3)nc2n2c1nc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ KMT2A Q03164 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL21208562 0.72 PDE10A (0.42) TSHRTP53CDK4CDK6OPRM1
SCHEMBL21208479 0.70 TLR9 (0.36) ALDH1A1KDM4ECDK4CDK6OPRM1
SCHEMBL18213590 0.67 HCRTR1 (0.39) TSHRKMT2AALDH1A1KDM4EMEN1
SCHEMBL17255024 0.67 TSHR (0.40) TSHRKMT2AALDH1A1KDM4EMEN1
SCHEMBL31403195 0.67 TSHR (0.40) TSHRKMT2AALDH1A1KDM4EMEN1
SCHEMBL23160996 0.67 CDK4 (0.35) TSHRALDH1A1KDM4EGAATP53
SCHEMBL18213596 0.67 HDAC1 (0.41) KMT2AALDH1A1KDM4EMEN1GAA
SCHEMBL21208460 0.67 HRH4 (0.40) ALOX15TSHRKMT2AALDH1A1KDM4E
SCHEMBL18057398 0.66 PDE10A (0.37) ALOX15TSHRKMT2AALDH1A1KDM4E
SCHEMBL6777671 0.64 HRH3 (0.55) ALDH1A1KDM4EMAPK1HTTCYP1A2

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-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-10-14 — — 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-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 ALOX15 266/4885CREBBP 1186/4885TSHR 4584/4885

“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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