SCHEMBL1098110

SCHEMBL1098110

c1cncc(NC2CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SIGLEC9 Q9Y336 2/20 0.49
POLB P06746 1/20 0.49
GRM5 P41594 2/20 0.48
OGA O60502 1/20 0.44
GBA1 P04062 1/20 0.44
FLT3 P36888 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 1/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
PKM P14618 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CFTR P13569 1/20 0.43
GOPC Q9HD26 1/20 0.43

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
SCHEMBL29699681 1.00 DDB1 (0.51) DDB1CRBNALDH1A1SIGLEC9POLB
SCHEMBL27863561 0.92 ALDH1A1 (0.55) DDB1CRBNALDH1A1SIGLEC9POLB
SCHEMBL30279152 0.91 KDM1A (0.52) DDB1CRBNALDH1A1SIGLEC9POLB
SCHEMBL25041437 0.91 KDM1A (0.52) DDB1CRBNALDH1A1SIGLEC9POLB
SCHEMBL27494294 0.90 ALDH1A1 (0.60) DDB1CRBNALDH1A1SIGLEC9POLB
SCHEMBL5241748 0.87 ALDH1A1 (0.55) DDB1CRBNALDH1A1SIGLEC9POLB
Hydrochloric Acid SCHEMBL1874442 0.86 ALDH1A1 (0.53) DDB1CRBNALDH1A1SIGLEC9POLB
SCHEMBL25803083 0.84 SIGLEC9 (0.51) DDB1CRBNALDH1A1SIGLEC9POLB
SCHEMBL27717981 0.84 SIGLEC9 (0.54) DDB1CRBNALDH1A1SIGLEC9POLB
SCHEMBL29934005 0.82 DDB1 (0.44) DDB1CRBNALDH1A1SIGLEC9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332961-A Substituted heteroaryl compounds, compositions and uses thereof 广东东阳光药业有限公司 2023-06-27 CN disclosed
CN-103517710-B For the compound of kinases regulation 普莱希科公司 2017-05-31 CN disclosed
EP-2917201-A1 DIHYDROTHIOPHENE DERIVATIVES AS INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2015-09-16 EP disclosed
WO-2014072480-A1 DIHYDROTHIOPHENE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-05-15 WO disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 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-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 DDB1 3443/4885CRBN 3089/4885ALDH1A1 2094/4885

“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.