SCHEMBL3096548

SCHEMBL3096548

NCc1c(-c2ccc(F)cc2Cl)ncn1Cc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 8/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
ROS1 P08922 1/20 0.40
P2RX7 Q99572 5/20 0.39
ADRA1D P25100 1/20 0.39
GRIN2B Q13224 3/20 0.39
GRIN1 Q05586 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3084749 0.89 P2RX7 (0.46) P2RX7ADRA1DALDH1A1
SCHEMBL3096481 0.89 PKM (0.42) CDK9SMN1; SMN2PKMP2RX7ADRA1D
SCHEMBL3096019 0.89 DPP4 (0.45) CDK9MEN1KMT2A
SCHEMBL3595937 0.87 CDK9 (0.46) CDK9
SCHEMBL3088769 0.86 CDK9 (0.39) CDK9PKMMEN1KMT2A
SCHEMBL3100277 0.84 DPP4 (0.39) CDK9SMN1; SMN2PKM
SCHEMBL3088999 0.82 WDR5 (0.40) CDK9SMN1; SMN2
SCHEMBL3594489 0.82 MEN1 (0.38) CDK9SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL3091238 0.81 MDM2 (0.40) CDK9
SCHEMBL3605740 0.81 P2RX7 (0.46) CDK9P2RX7GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 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 (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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA CDK9 532/4885SMN1; SMN2 1091/4885PKM 786/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 CDK9 479/4885SMN1; SMN2 1093/4885PKM 847/4885

“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.