SCHEMBL4965064

SCHEMBL4965064

CN(Cc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O)CC1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ PARP1 P09874 2/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ CACNB4 O00305 1/20 0.30
▸ CACNA1A O00555 1/20 0.30
▸ CACNA1G O43497 1/20 0.30
▸ CACNG3 O60359 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
SCHEMBL4962151 0.92 HTR2A (0.37) RENKCNH2MEN1KMT2APKM
SCHEMBL14541908 0.90 REN (0.34) RENKCNH2MEN1KMT2ACNR2
SCHEMBL4962193 0.90 PKM (0.36) RENKCNH2MEN1KMT2AP2RX7
SCHEMBL4964833 0.89 HDAC1 (0.35) RENKCNH2MEN1KMT2AP2RX7
SCHEMBL4962762 0.88 P2RX7 (0.33) RENKCNH2MEN1KMT2AP2RX7
SCHEMBL4962815 0.88 LMNA (0.33) RENKCNH2MEN1KMT2AP2RX7
SCHEMBL4966274 0.88 P2RX7 (0.33) RENKCNH2MEN1KMT2AP2RX7
SCHEMBL4962825 0.86 ALDH1A1 (0.36) RENKCNH2MEN1KMT2AP2RX7
SCHEMBL5430713 0.86 PDE1C (0.37) KCNH2MEN1KMT2AALDH1A1PDE1A
SCHEMBL5419724 0.84 KDM4E (0.43) RENKCNH2MEN1KMT2AP2RX7

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 REN 1840/4885KCNH2 4108/4885PARP1 744/4885

“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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