SCHEMBL15416100

SCHEMBL15416100

C[C@@H](C(=O)Nc1ccc(B(O)O)cc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 2/20 0.45
KLK7 P49862 1/20 0.45
HTT P42858 1/20 0.44
GRM7 Q14831 1/20 0.44
CXCR1 P25024 2/20 0.43

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
SCHEMBL16296251 1.00 KMT2A (0.49) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL28015606 0.82 MEN1 (0.51) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL15416568 0.82 MEN1 (0.51) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL16307627 0.81 MAPT (0.63) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL1817848 0.78 MEN1 (0.58) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL823725 0.77 ALDH1A1 (0.58) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL16296408 0.77 LMNA (0.47) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL10915040 0.76 MAPT (0.47) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL13448758 0.76 GRM7 (0.54) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL17086763 0.76 GRM7 (0.54) KMT2AMEN1CYP1A2CYP2C9CYP2C19

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388177-B2 Method for preparing substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-12 US claimed
US-20170342064-A1 COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 US disclosed
US-20170342064-A1 COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 US disclosed
EP-3230285-A1 COMPOUNDS FOR THE TREATMENT OF CANCER Bayer Pharma Aktiengesellschaft (DE) 2017-10-18 EP disclosed
EP-3008062-B1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma AG (DE) 2017-04-05 EP disclosed
EP-3008062-B1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma AG (DE) 2017-04-05 EP disclosed
US-9586958-B2 Prodrug derivatives of substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-07 US disclosed
US-9586958-B2 Prodrug derivatives of substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-07 US disclosed
US-20160264568-A1 SUBSTITUTED TRIAZOLOPYRIDINES HAVING ACTIVITY AS MPS-1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20160264568-A1 SUBSTITUTED TRIAZOLOPYRIDINES HAVING ACTIVITY AS MPS-1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20150148542-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
US-20150148542-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
EP-2872506-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma Aktiengesellschaft (DE) 2015-05-20 EP disclosed
WO-2014198594-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 WO disclosed
WO-2014198647-A2 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 WO disclosed
WO-2014198647-A2 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 WO disclosed
WO-2014198594-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 WO disclosed
WO-2014195276-A1 SUBSTITUTED TRIAZOLOPYRIDINES HAVING ACTIVITY AS MPS-1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-11 WO disclosed
WO-2014009219-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-01-16 WO disclosed
WO-2014009219-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-01-16 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 (3 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-20160264568-A1 SUBSTITUTED TRIAZOLOPYRIDINES HAVING ACTIVITY AS MPS-1 INHIBITORS CMA1, TPP1, TPSAB1 KMT2A 4262/4885MEN1 418/4885CYP1A2 624/4885
US-20170342064-A1 COMPOUNDS FOR THE TREATMENT OF CANCER MPST, TK1, BRCA1 KMT2A 3222/4885MEN1 712/4885CYP1A2 3471/4885
US-20150148542-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZOLOPYRIDINES QDPR, CYP3A5, CYP3A7 KMT2A 3947/4885MEN1 994/4885CYP1A2 11/4885

“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.