SCHEMBL4903231

SCHEMBL4903231

CNc1nnnc2c1sc1ncccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 6/20 0.49
LIMK1 P53667 3/20 0.46
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
EGFR P00533 1/20 0.43
PRKCI P41743 4/20 0.41
TLR5 O60602 1/20 0.38
PIK3CA P42336 2/20 0.38
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
CYP2A6 P11509 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
SCHEMBL11477966 0.77 CLK1 (0.49) CLK1LIMK1CDC7DBF4EGFR
SCHEMBL4899262 0.77 ALDH1A1 (0.47) LIMK1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4900393 0.73 PIK3CA (0.49) CLK1LIMK1CDC7DBF4PRKCI
SCHEMBL16919875 0.67 CLK1 (0.55) CLK1LIMK1CDC7DBF4EGFR
SCHEMBL18879061 0.66 CYP2A6 (0.36) CLK1LIMK1KDM4EMEN1ALDH1A1
SCHEMBL16281249 0.66 CLK1 (0.67) CLK1LIMK1CDC7DBF4EGFR
SCHEMBL4886995 0.66 CLK1 (0.43) CLK1LIMK1CDC7DBF4EGFR
SCHEMBL14050122 0.66 CLK1 (1.00) CLK1LIMK1CDC7DBF4EGFR
SCHEMBL4903332 0.65 LIMK1 (0.50) CLK1LIMK1CDC7DBF4PIK3CA
SCHEMBL24623623 0.64 LIMK1 (0.51) CLK1LIMK1CDC7DBF4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 US disclosed
US-7291733-B2 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
EP-1673374-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 US disclosed
WO-2005035537-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-21 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-20050101601-A1 Substituted tricyclic heterocycles and their uses LTC4S, NQO1, CBR3 CLK1 3223/4885LIMK1 4013/4885CDC7 1740/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 CLK1 3223/4885LIMK1 4013/4885CDC7 1740/4885

“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.