SCHEMBL13436332

SCHEMBL13436332

CC(C)c1cncc(NCCN(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ HTR7 P34969 4/20 0.39
▸ FLT3 P36888 3/20 0.38
▸ CYP2C19 P33261 1/20 0.35
▸ DNM2 P50570 2/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL12015776 0.80 HTR7 (0.40) KDRFGFR2HTR7ADRA1DHTR2C
SCHEMBL12015779 0.77 HTR7 (0.45) HTR7CYP2C19ADRA1DHTR2CADRA1A
SCHEMBL15365377 0.77 KDR (0.43) KDRFGFR2FLT3CYP2C19DNM2
SCHEMBL17562434 0.75 NOS2 (0.43) FLT3CYP2C19DNM2HPGDEGFR
SCHEMBL12648603 0.74 HPGD (0.47) FLT3CYP2C19HPGDEGFR
SCHEMBL13130434 0.72 HPGD (0.53) KDRHPGD
SCHEMBL12015848 0.71 KDM4E (0.46) HTR7EGFR
SCHEMBL14924060 0.70 FLT3 (0.39) FLT3CYP2C19DNM2HPGD
SCHEMBL13436334 0.70 CHRNB2 (0.32) —
SCHEMBL12015849 0.70 KDR (0.48) KDREGFR

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
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 — — US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US disclosed
WO-2010034838-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 — — 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-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 KDR 3345/4885FGFR2 385/4885HTR7 3581/4885

“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.

Send feedback