SCHEMBL3675974

SCHEMBL3675974

O=c1[nH]cnc2c1COC=C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SRC P12931 2/20 0.33
LMNA P02545 1/20 0.33
ADORA2A P29274 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
XDH P47989 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
CHEK1 O14757 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
PDPK1 O15530 1/20 0.31
CA12 O43570 1/20 0.31
PARP1 P09874 1/20 0.31
ALOX15 P16050 1/20 0.31
CA9 Q16790 1/20 0.31

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
Hydrochloric Acid SCHEMBL8486646 0.73 SRC (0.37) ALDH1A1TSHRSMN1; SMN2SRCLMNA
SCHEMBL14603648 0.73
SCHEMBL856432 0.72 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2SRCLMNA
SCHEMBL1437156 0.69 ALDH1A1 (0.36) ALDH1A1TSHRSMN1; SMN2SRCLMNA
SCHEMBL3678768 0.68 ALDH1A1 (0.35) ALDH1A1TSHRSMN1; SMN2SRCLMNA
SCHEMBL15416608 0.66 SRC (0.35) ALDH1A1SRCNPSR1EGFR
SCHEMBL14603966 0.64 TNKS2 (0.44) ALDH1A1TSHRSRCNPSR1CHEK1
SCHEMBL17870360 0.64 WNT3A (0.42) ALDH1A1TSHRSMN1; SMN2SRCLMNA
SCHEMBL31057492 0.64
SCHEMBL29943600 0.64 SRC (0.39) ALDH1A1TSHRSMN1; SMN2SRCLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731940-A1 4 - PIPERIDINYL COMPOUNDS FOR USE AS TANKYRASE INHIBITORS Novartis AG (CH) 2014-05-21 EP disclosed
WO-2013008217-A1 4 - PIPERIDINYL COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2013-01-17 WO disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A ALDH1A1 2838/4885TSHR 1069/4885SMN1; SMN2 1018/4885

“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.