SCHEMBL22156293

SCHEMBL22156293

CCc1ccc2ccn(C(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
BRD4 O60885 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
HTR2C P28335 3/20 0.35
HTR2A P28223 2/20 0.35
TRPA1 O75762 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL23665141 0.86 BRD4 (0.40) HTR7BRD4MAPK11MAPK14HTR2C
SCHEMBL17680481 0.86 AKR1C3 (0.41) HTR7CYP1A2CYP2A6BRD4AKR1C3
SCHEMBL758075 0.84 MAPK11 (0.38) BRD4MAPK11MAPK14HTR2CHTR2A
SCHEMBL20946399 0.84 HTR2A (0.37) CYP2A6BRD4MAPK11MAPK14HTR2C
SCHEMBL6945213 0.81 LMNA (0.37) BRD4MAPK11MAPK14HTR2CHTR2A
SCHEMBL6740857 0.80 HRH3 (0.42) HTR7BRD4MAPK11MAPK14HTR2A
SCHEMBL6741120 0.79 HRH3 (0.41) HTR7CYP1A2HTR2CHTR2AALDH1A1
SCHEMBL11977074 0.79 PTGS2 (0.47) AKR1C3AKR1C2MAPK11MAPK14ALDH1A1
SCHEMBL8303438 0.76 CYP2A6 (0.50) HTR7CYP1A2CYP2A6AKR1C3AKR1C2
SCHEMBL13204941 0.76 HTR2C (0.53) HTR7CYP1A2CYP2A6BRD4MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 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 (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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A HTR7 3699/4885CYP1A2 408/4885CYP2A6 1375/4885
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS HTR7 4209/4885CYP1A2 4750/4885CYP2A6 4274/4885

“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.