SCHEMBL3515489

SCHEMBL3515489

NCC1(COc2ccc(Br)cc2)COC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MAOB P27338 3/20 0.36
USP2 O75604 1/20 0.35
APP P05067 1/20 0.34
DRD1 P21728 1/20 0.33
PTGER2 P43116 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LTA4H P09960 1/20 0.33
PTGS2 P35354 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
DHFR P00374 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 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
SCHEMBL10071618 0.83 TSHR (0.37) TSHRMAOBUSP2APPDRD1
SCHEMBL3512098 0.83 TSHR (0.38) TSHRMAOBUSP2APPDRD1
SCHEMBL24610006 0.78 MAPK1 (0.39) TSHRMAOBUSP2ATML3MBTL1
SCHEMBL3515347 0.76 CA1 (0.35) TSHRMAOBDRD1PTGER2HRH4
SCHEMBL17316324 0.76 TSHR (0.39) TSHRMAOBUSP2APPDRD1
SCHEMBL15577850 0.76 ACACB (0.45) TSHRMAOBDHFRKDM4E
SCHEMBL3514903 0.74 DRD1 (0.54) DRD1PTGER2HRH4KDM4ESMN1; SMN2
SCHEMBL36226 0.73 TSHR (0.40) TSHRUSP2LTA4H
SCHEMBL3513070 0.72 MAPT (0.34) TSHRMAOBUSP2CA1CA2
SCHEMBL21217897 0.72 ALDH1A1 (0.37) TSHRMAOBAPPKDM4E

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
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A TSHR 3280/4885MAOB 3855/4885USP2 3112/4885

“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.