SCHEMBL2500682

SCHEMBL2500682

N=c1n(CCCOc2ccc(F)cc2)c2ccccc2n1Cc1ccc(N2CCN(Cc3ccccc3Cl)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.49
DRD2 P14416 8/20 0.49
DRD1 P21728 5/20 0.49
DRD5 P21918 4/20 0.49
TP53 P04637 1/20 0.48
HTR1A P08908 8/20 0.46
HTR2A P28223 8/20 0.46
HTR7 P34969 3/20 0.46
HRH1 P35367 3/20 0.46
ADRA2C P18825 1/20 0.46
SIGMAR1 Q99720 4/20 0.41
DRD4 P21917 3/20 0.41
TMEM97 Q5BJF2 3/20 0.41
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.40
KCNH2 Q12809 1/20 0.39
TSHR P16473 1/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
PRKAA2 P54646 1/20 0.38

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
SCHEMBL2476303 0.91 DRD3 (0.52) DRD3DRD2DRD1DRD5TP53
SCHEMBL2496472 0.91 DRD3 (0.53) DRD3DRD2DRD1DRD5TP53
SCHEMBL2495677 0.90 TP53 (0.56) DRD3DRD2DRD1DRD5TP53
SCHEMBL2493606 0.89 DRD2 (0.52) DRD3DRD2DRD1DRD5TP53
SCHEMBL2493701 0.89 DRD3 (0.48) DRD3DRD2DRD1DRD5TP53
SCHEMBL2495156 0.87 DRD3 (0.48) DRD3DRD2DRD1DRD5TP53
SCHEMBL2476523 0.84 TP53 (0.55) DRD3DRD2DRD1DRD5TP53
SCHEMBL2493553 0.81 TP53 (0.60) DRD3DRD2DRD1DRD5TP53
SCHEMBL2497811 0.81 TP53 (0.63) DRD3DRD2TP53HTR1AHTR2A
SCHEMBL2499209 0.80 DRD2 (0.62) DRD3DRD2DRD1DRD5TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US claimed
EP-2373629-B1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INT (DE) 2013-04-10 EP claimed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
EP-2373629-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-12 EP claimed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 WO claimed
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
EP-2373629-B1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INT (DE) 2013-04-10 EP disclosed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
EP-2373629-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-12 EP disclosed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 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 (3 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 DRD3 4791/4885DRD2 4754/4885DRD1 4788/4885
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BCL2, BAX, BCL2A1 DRD3 3065/4885DRD2 2373/4885DRD1 2684/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA DRD3 4651/4885DRD2 4588/4885DRD1 4606/4885

“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.