SCHEMBL5743149

SCHEMBL5743149

CCNc1nc(C(F)(F)F)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ PTPN1 P18031 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ ATM Q13315 4/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ CAMK2B Q13554 1/20 0.36
▸ CAMK2G Q13555 1/20 0.36
▸ CAMK2D Q13557 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTGS1 P23219 1/20 0.35

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
SCHEMBL10280708 0.80 MAT2A (0.40) PTPN1HSP90AA1HSP90AB1ATML3MBTL1
SCHEMBL14658795 0.80 AOC1 (0.37) LMNAPTPN1ATML3MBTL1CYP1A2
SCHEMBL14797674 0.77 KDM4E (0.43) LMNAATML3MBTL1CYP1A2CYP2C19
SCHEMBL5745686 0.77 NLRP3 (0.35) LMNAPTPN1L3MBTL1CYP1A2PGK1
SCHEMBL11578567 0.76 NLRP3 (0.43) PTPN1L3MBTL1CYP1A2PGK1
SCHEMBL5745561 0.74 PGK1 (0.47) LMNAL3MBTL1CYP1A2CYP2C19CYP3A4
SCHEMBL15635649 0.74 TAS2R14 (0.42) LMNACYP2C19KDM4EP2RX7GAA
SCHEMBL16068142 0.73 HEXA (0.41) LMNAHSP90AA1HSP90AB1KDM4EPTGS1
SCHEMBL30657526 0.73 PGK1 (0.39) LMNAPGK1
SCHEMBL1978195 0.73 PGK1 (0.39) LMNAPGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655300-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-05-10 — — EP disclosed
EP-1294720-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-04-05 — — EP disclosed
CN-1178939-C Non-nucleoside reverse transcriptase inhibitors ���ָ����Ӣ��ķ���ô����޹�˾ 2004-12-08 — — CN disclosed
CN-1436189-A Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 2003-08-13 — — CN disclosed
EP-1294720-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-03-26 — — EP disclosed
US-6420359-B1 5,11-Dihydro-11-ethyl-5-methyl-8-(2-((1-oxido-4-quinolinyl)oxy)ethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one for example; antiviral agents for HIV infection BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-07-16 — — US disclosed
US-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-03-07 — — US disclosed
WO-2001096338-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-12-20 — — 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-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors REV1, POLR2H, POLR2E LMNA 3364/4885PTPN1 2182/4885HSP90AA1 3967/4885

“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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