SCHEMBL12475302

SCHEMBL12475302

O=C(O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
CASP3 P42574 1/20 0.45
P2RX1 P51575 1/20 0.44
TACR1 P25103 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL15078643 0.85 RXFP1 (0.44) KMT2AMEN1CASP3TACR1HPGD
SCHEMBL4883657 0.78 CASP3 (0.48) KMT2AMEN1CASP3CA1CA4
SCHEMBL546449 0.78 CASP3 (0.48) KMT2AMEN1CASP3CA1CA4
SCHEMBL7956763 0.76 CASP3 (0.55) KMT2AMEN1CASP3CA12CA1
SCHEMBL12475072 0.74 GPR35 (0.49) P2RX1TACR1CA12CA1ALDH1A1
SCHEMBL7957008 0.74 ADRA1D (0.62) KMT2ACASP3CA12CA1CA4
SCHEMBL20357440 0.72 GPR35 (0.53) KMT2AMEN1P2RX1TACR1ALDH1A1
SCHEMBL15077305 0.72 KMT2A (0.55) KMT2AMEN1CASP3HPGDSMN1; SMN2
SCHEMBL15648473 0.71 GPR35 (0.51) KMT2AMEN1P2RX1TACR1ALDH1A1
SCHEMBL12475144 0.71 TACR1 (0.47) P2RX1TACR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 KMT2A 221/4885MEN1 1681/4885CASP3 3494/4885

“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.