SCHEMBL2693535

SCHEMBL2693535

O=C(O)c1cnc(O)c(Cl)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.39
AKR1C1 Q04828 2/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HAVCR2 Q8TDQ0 1/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36

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
SCHEMBL7840908 0.83 LMNA (0.42) AKR1C2AKR1C1AKR1C4AKR1C3LMNA
SCHEMBL31974 0.80 KDM4E (0.49) AKR1C2AKR1C1AKR1C4AKR1C3LMNA
SCHEMBL2693688 0.73 KMT2A (0.49) LMNASMN1; SMN2TSHRALDH1A1HPGD
SCHEMBL329752 0.71 CA1 (0.48) AKR1C2AKR1C1AKR1C4AKR1C3LMNA
SCHEMBL172310 0.70 HSD17B10 (0.40) LMNASMN1; SMN2TSHRALDH1A1HPGD
SCHEMBL9654331 0.70 HAVCR2 (0.47) AKR1C2AKR1C1AKR1C4AKR1C3LMNA
SCHEMBL7048084 0.70 ALDH1A1 (0.41) AKR1C2AKR1C1AKR1C4AKR1C3LMNA
SCHEMBL3974375 0.70 SMN1; SMN2 (0.45) LMNASMN1; SMN2HAVCR2TSHRALDH1A1
SCHEMBL28440693 0.70 AKR1C2 (0.52) AKR1C2AKR1C1AKR1C4AKR1C3LMNA
SCHEMBL18529852 0.69 SELL (0.56) AKR1C2AKR1C1AKR1C4AKR1C3SMN1; 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
EP-2975027-A1 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
EP-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 EP disclosed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK AKR1C2 1346/4885AKR1C1 1120/4885AKR1C4 1272/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK AKR1C2 1346/4885AKR1C1 1120/4885AKR1C4 1272/4885

“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.