SCHEMBL4962863

SCHEMBL4962863

CN(CCCc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O)Cc1ccccn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 11/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TERT O14746 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL4965125 0.85 CACNB4 (0.33) KMT2AMAPT
SCHEMBL4965046 0.84 HTR6 (0.37) KMT2AMAPT
SCHEMBL4962762 0.84 P2RX7 (0.33) KMT2AMAPT
SCHEMBL4962828 0.83 LMNA (0.34) KMT2AKDM4EHTTSMN1; SMN2
SCHEMBL4965559 0.83 LMNA (0.33) KMT2ASMN1; SMN2
SCHEMBL4966822 0.83 HTT (0.33) KMT2AKDM4EHTTSMN1; SMN2
SCHEMBL4963381 0.83 HTT (0.34) KMT2AKDM4EHTTSMN1; SMN2
SCHEMBL5430713 0.83 PDE1C (0.37) KMT2AKDM4EMAPT
SCHEMBL5427942 0.82 CYP11B1 (0.40) KMT2AHTTMAPTSMN1; SMN2
SCHEMBL4964833 0.82 HDAC1 (0.35) KMT2AHTTMAPTSMN1; SMN2

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 6 patents. 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 claimed
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 GNRHR 4347/4885KMT2A 1367/4885TERT 534/4885

“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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