SCHEMBL4900827

SCHEMBL4900827

CC(C)c1cnc(-c2cccc(Nc3ccccn3)n2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
KMT2A Q03164 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
KLF5 Q13887 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MECP2 P51608 1/20 0.40
KCNN1 Q92952 1/20 0.40
KCNN2 Q9H2S1 1/20 0.40
MBD2 Q9UBB5 1/20 0.40
KCNN3 Q9UGI6 1/20 0.40

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
SCHEMBL4900758 0.83 KDR (0.58) KDRNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL26066988 0.80 ALDH1A1 (0.54) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL4901229 0.80 KDR (0.58) KDRNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4896924 0.80 KMT2A (0.42) KDRNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4899139 0.79 CDK4 (0.45) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL4904679 0.79 CDK4 (0.46) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL4904357 0.77 CDK4 (0.48) CDK1CDK4CCNB1CCNA2CCND1
Hydrochloric Acid SCHEMBL4902390 0.77 CDK6 (0.47) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL6704817 0.76 KDR (0.65) KDRKMT2ASMN1; SMN2LMNACDK1
Hydrochloric Acid SCHEMBL27682322 0.76 CCNE1 (0.31) CDK2

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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 US disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 KDR 3367/4885NPC1 1509/4885RAB9A 3132/4885

“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.