SCHEMBL731443

SCHEMBL731443

Cc1nn(-c2ccccc2)c2cc[c]cc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
KHK P50053 8/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP7 Q93009 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
PLK1 P53350 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 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
SCHEMBL1501459 0.83 MEN1 (0.55) SMN1; SMN2MEN1KMT2ACA12CA9
SCHEMBL1501615 0.81 L3MBTL1 (0.51) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL20593187 0.80 CYP11B1 (0.49) MAPK1KHKSMN1; SMN2CA12CA9
SCHEMBL730363 0.79 CCNA2 (0.42) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL10315082 0.79 MAPK1 (0.62) MAPK1KHKSMN1; SMN2MEN1KMT2A
SCHEMBL1501649 0.78 TSHR (0.59) SMN1; SMN2CA12CA9PLK1KDM4E
SCHEMBL16867405 0.74 KHK (0.57) MAPK1KHKSMN1; SMN2MEN1KMT2A
SCHEMBL3483035 0.74 ADORA2A (0.48)
SCHEMBL763484 0.73 MEN1 (0.57) MAPK1KHKSMN1; SMN2MEN1KMT2A
SCHEMBL730704 0.71 CA9 (0.53) MAPK1KHKSMN1; SMN2MEN1KMT2A

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
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 MAPK1 1666/4885KHK 1126/4885SMN1; SMN2 3531/4885

“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.