SCHEMBL3512015

SCHEMBL3512015

Cc1nc(Cl)ccc1C(=O)NN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.53
KDM4E B2RXH2 8/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 9/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.46
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44

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
SCHEMBL6161620 0.81 P2RX7 (0.56) P2RX7KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL403869 0.81 GABRP (0.46) KDM4EMAPTALDH1A1SMN1; SMN2GABRP
SCHEMBL30798551 0.80 SMN1; SMN2 (0.62) KDM4EMAPTALDH1A1SMN1; SMN2GABRP
SCHEMBL1246770 0.80 SMN1; SMN2 (0.62) KDM4EMAPTALDH1A1SMN1; SMN2GABRP
SCHEMBL3648999 0.79 NNMT (0.58) KDM4EMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL7960603 0.78 PDCD1LG2 (0.45) MAPTALDH1A1POLBGABRPGABRD
SCHEMBL609984 0.77 KDM4E (0.54) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL12410963 0.77 SMN1; SMN2 (0.54) KDM4EMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL30996511 0.77 SMN1; SMN2 (0.54) KDM4EMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL29524409 0.77 GABRP (0.66) KDM4EALDH1A1SMN1; SMN2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 P2RX7 3873/4885KDM4E 653/4885MAPT 4023/4885

“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.