SCHEMBL3517124

SCHEMBL3517124

Oc1ncccc1-c1cccnn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.46
HTR2C P28335 4/20 0.37
HTR2A P28223 2/20 0.37
HTR2B P41595 1/20 0.37
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 3/20 0.34
BLM P54132 2/20 0.34
CCR1 P32246 2/20 0.34
CCR5 P51681 2/20 0.34
CCR8 P51685 2/20 0.34
HIF1A Q16665 2/20 0.34
METAP1 P53582 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
DOHH Q9BU89 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
TP53 P04637 3/20 0.34

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
SCHEMBL11886366 0.79 KDM4E (0.54) CASP6KDM4ELMNABLMCCR1
SCHEMBL29529430 0.79 KDM4E (0.54) CASP6KDM4ELMNABLMCCR1
SCHEMBL2592408 0.78 TDP1 (0.44) KDM4ELMNABLMCCR1CCR5
SCHEMBL29942556 0.78 IDO1 (0.44) CASP6HTR2CHTR2ALMNACYP1A2
SCHEMBL30717913 0.78 IDO1 (0.44) CASP6HTR2CHTR2ALMNACYP1A2
SCHEMBL8138036 0.78 IDO1 (0.44) CASP6HTR2CHTR2ALMNACYP1A2
Hydrochloric Acid SCHEMBL30595233 0.76 IDO1 (0.43) CASP6HTR2CHTR2ALMNACYP1A2
SCHEMBL8892049 0.76 CASP6 (0.34) CASP6HTR2CKDM4ELMNABLM
SCHEMBL30741483 0.73 HTR2C (0.60) HTR2CHTR2AHTR2BKDM4ELMNA
SCHEMBL1456807 0.72 GOT1 (0.46) CASP6HTR2CHTR2AHTR2BROCK2

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A CASP6 4347/4885HTR2C 4569/4885HTR2A 4726/4885

“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.