SCHEMBL3496513

SCHEMBL3496513

O=c1c2ncc3c(c(CN4CCc5ccccc5C4)cn3Cc3ccc(F)cc3)c2ccn1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ TNF P01375 1/20 0.42
▸ NOD2 Q9HC29 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ ALOX15 P16050 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALOX12 P18054 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL4965332 0.86 CACNB4 (0.46) MEN1KMT2ALMNAKDM4EOPRK1
SCHEMBL3496066 0.85 CACNB4 (0.40) HSD17B10KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL3495130 0.85 KMT2A (0.43) MEN1KMT2ARAB9AHSD17B10MAPK1
SCHEMBL3497606 0.84 GRM2 (0.39) MEN1KMT2ANPSR1ALDH1A1CYP3A4
SCHEMBL3498267 0.84 NPSR1 (0.41) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL3494652 0.84 CACNB4 (0.40) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL3494723 0.83 MCHR1 (0.39) SMN1; SMN2HTTALDH1A1HTR2ACYP3A4
SCHEMBL3495002 0.82 MEN1 (0.41) MEN1KMT2ARAB9AHSD17B10MAPK1
SCHEMBL4962127 0.82 CACNB4 (0.36) KMT2AALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL4964868 0.81 CYP19A1 (0.39) MEN1KMT2ALMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US claimed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP claimed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US claimed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP disclosed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — 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 (2 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-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP MEN1 4787/4885KMT2A 1367/4885RAB9A 3196/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP MEN1 4787/4885KMT2A 1367/4885RAB9A 3196/4885

“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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