SCHEMBL14320577

SCHEMBL14320577

Nc1ccc(C(F)(F)F)c(-n2ccnn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 14/20 0.54
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CHRNB2 P17787 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ GLA P06280 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SYK P43405 1/20 0.40
▸ EGLN2 Q96KS0 1/20 0.39
▸ KEAP1 Q14145 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL28781469 0.88 NOTUM (0.57) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL2627229 0.79 NOTUM (0.44) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL31285600 0.76 ALDH1A1 (0.49) NOTUMTSHREGLN2KEAP1MAPT
SCHEMBL20409480 0.76 NOTUM (0.45) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL14320657 0.73 GAA (0.50) NOTUMCYP1A2CYP2C9CYP2C19GLA
SCHEMBL30946430 0.73 GAA (0.50) NOTUMCYP1A2CYP2C9CYP2C19GLA
SCHEMBL30946437 0.73 NOTUM (0.48) NOTUMGLAPOLBGAATSHR
SCHEMBL24294537 0.72 NOTUM (0.45) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL2627308 0.72 ALDH1A1 (0.49) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL19814171 0.72 NOTUM (0.61) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 — — US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 — — EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 — — EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — 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 (7 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NOTUM 3651/4885CYP1A2 3832/4885CYP2C9 3823/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK NOTUM 4550/4885CYP1A2 3276/4885CYP2C9 2934/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NOTUM 3651/4885CYP1A2 3832/4885CYP2C9 3823/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK NOTUM 3651/4885CYP1A2 3832/4885CYP2C9 3823/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 NOTUM 4349/4885CYP1A2 4700/4885CYP2C9 4631/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NOTUM 3654/4885CYP1A2 3709/4885CYP2C9 3714/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NOTUM 3654/4885CYP1A2 3709/4885CYP2C9 3714/4885

“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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