SCHEMBL3637464

SCHEMBL3637464

CC1Cc2cc(C(C)N)ccc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
PDE2A O00408 1/20 0.41
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OGA O60502 2/20 0.37
CYP11B2 P19099 2/20 0.36
PBRM1 Q86U86 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAOA P21397 2/20 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
SCHEMBL15803238 0.86 TDP1 (0.53) TDP1RAB9ANPC1PDE2ACASP3
SCHEMBL20482328 0.83 TDP1 (0.54) TDP1RAB9ANPC1PDE2ACASP3
SCHEMBL13822706 0.83 TDP1 (0.47) TDP1RAB9ANPC1PDE2ACASP3
SCHEMBL21788608 0.81 TDP1 (0.49) TDP1RAB9ANPC1PDE2ACASP3
SCHEMBL21788611 0.76 TDP1 (0.41) TDP1RAB9ANPC1PDE2ACASP3
SCHEMBL16178935 0.75 TDP1 (0.56) TDP1RAB9ANPC1CASP3SENP8
SCHEMBL15724653 0.75 TDP1 (0.56) TDP1RAB9ANPC1CASP3SENP8
SCHEMBL15749929 0.75 TDP1 (0.56) TDP1RAB9ANPC1CASP3SENP8
Hydrochloric Acid SCHEMBL8691154 0.74 TDP1 (0.54) TDP1RAB9ANPC1CASP3SENP8
SCHEMBL318360 0.73 TDP1 (0.57) TDP1RAB9ANPC1CASP3SENP8

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-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 TDP1 3486/4885RAB9A 939/4885NPC1 851/4885

“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.