SCHEMBL5522754

SCHEMBL5522754

CC(CCc1cnc(Nc2ccccc2Cl)nc1N)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.43
ULK1 O75385 1/20 0.38
TSHR P16473 1/20 0.38
DHFR P00374 1/20 0.38
AURKA O14965 2/20 0.37
PTK2 Q05397 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LRRK2 Q5S007 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FLT3 P36888 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL5535331 0.91 LMNA (0.46) IGF1RDHFRLRRK2RAB9ASMN1; SMN2
SCHEMBL5529329 0.88 HTT (0.45) AURKAPTK2LRRK2NPC1RAB9A
SCHEMBL5528704 0.88 TNK2 (0.36) DHFRHDAC3HDAC1HDAC2HDAC6
SCHEMBL4199140 0.87 KDM4E (0.41) IGF1RTSHRDHFRLRRK2NPC1
SCHEMBL5525215 0.87 DHFR (0.39) IGF1RTSHRDHFRPTK2HDAC3
SCHEMBL5523567 0.87 MAPT (0.38) AURKAPTK2NPC1RAB9ASMN1; SMN2
SCHEMBL2115650 0.84 IGF1R (0.46) IGF1RULK1TSHRDHFRAURKA
SCHEMBL5525987 0.83 NPC1 (0.41) DHFRAURKALRRK2NPC1RAB9A
SCHEMBL5530876 0.83 CNR2 (0.34) ULK1DHFRNPC1RAB9A
SCHEMBL2113595 0.82 IGF1R (0.44) IGF1RULK1TSHRDHFRAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US claimed

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-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG IGF1R 4009/4885ULK1 1521/4885TSHR 4290/4885

“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.