SCHEMBL4964507

SCHEMBL4964507

O=C1c2ncc3c(c(CCN4CCOCC4)cn3Cc3ccc(F)cc3)c2CCN1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ GAA P10253 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.36
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PIK3CA P42336 2/20 0.34

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
SCHEMBL4967431 0.95 KMT2A (0.40) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4964888 0.93 ALDH1A1 (0.42) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4964710 0.92 MEN1 (0.41) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL5438108 0.91 KMT2A (0.37) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL14506537 0.87 MEN1 (0.35) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4966394 0.87 ALDH1A1 (0.37) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4964461 0.87 ALDH1A1 (0.37) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL5427942 0.86 CYP11B1 (0.40) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4963385 0.85 MEN1 (0.36) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL5427803 0.85 MEN1 (0.37) MEN1KMT2ACYP2D6MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 — — EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — WO 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 MEN1 4787/4885KMT2A 1367/4885ALDH1A1 437/4885

“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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