SCHEMBL3344533

SCHEMBL3344533

COCCn1c(C)nnc1-c1ccc(C)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
HSD17B10 Q99714 2/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 3/20 0.38
GLA P06280 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.38
BRD4 O60885 1/20 0.38
CASR P41180 3/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CDK9 P50750 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 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
SCHEMBL3346950 0.81 TSHR (0.47) TSHRHSD17B10RAB9AALDH1A1TDP1
SCHEMBL3344529 0.81 PTGER4 (0.40) TSHRHSD17B10ALDH1A1TDP1KDM4E
SCHEMBL3348744 0.76 TSHR (0.50) TSHRHSD17B10RAB9AALDH1A1TDP1
SCHEMBL3342751 0.71 KATNA1 (0.38) TSHRHSD17B10RAB9AALDH1A1TDP1
SCHEMBL19914238 0.70 ALDH1A1 (0.41) TSHRHSD17B10ALDH1A1TDP1ALOX15
Hydrochloric Acid SCHEMBL19899573 0.69 ALDH1A1 (0.41) TSHRHSD17B10ALDH1A1TDP1ALOX15
SCHEMBL27007976 0.68 SMN1; SMN2 (0.49) TSHRALDH1A1TDP1ALOX15KDM4E
SCHEMBL14557022 0.67 GLA (0.46) TSHRHSD17B10ALDH1A1TDP1ALOX15
SCHEMBL20181394 0.66 APLNR (0.49) TSHRRAB9AALDH1A1TDP1GLA
SCHEMBL3348708 0.65 SMN1; SMN2 (0.50) TSHRHSD17B10RAB9AALDH1A1TDP1

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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 TSHR 1051/4885HSD17B10 4607/4885RAB9A 1850/4885

“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.