SCHEMBL5429824

SCHEMBL5429824

O=C1c2ncc3c(c(CN4CC[C@@H](F)C4F)cn3Cc3ccc(F)cc3)c2CCN1O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.34
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 1/20 0.30
▸ PDE1C Q14123 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL5427810 0.87 CACNB4 (0.34) CHRM1MEN1KMT2APOLBRXFP1
SCHEMBL4963385 0.85 MEN1 (0.36) MEN1KMT2APOLBRXFP1MAPT
SCHEMBL4964658 0.84 CACNA1B (0.44) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL4964242 0.84 SCN3A (0.43) POLBRXFP1
SCHEMBL4964779 0.83 CACNA1B (0.46) MEN1KMT2AMAPTALDH1A1
SCHEMBL1198652 0.83 CACNA1B (0.46) MEN1KMT2AMAPTALDH1A1
SCHEMBL14506537 0.83 MEN1 (0.35) MEN1KMT2APOLBRXFP1MAPT
SCHEMBL4964710 0.82 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1ALOX12
SCHEMBL14541851 0.82 RXFP1 (0.33) CHRM1MEN1KMT2ARXFP1CNR2
SCHEMBL4965952 0.82 HTR6 (0.39) PKMALDH1A1CYP3A4CYP2D6CYP2C19

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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP CHRM1 4766/4885MEN1 4787/4885KMT2A 1367/4885

“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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