SCHEMBL2495677

SCHEMBL2495677

N=c1n(CCCOc2ccc(F)cc2)c2ccccc2n1Cc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
TSHR P16473 2/20 0.46
KCNH2 Q12809 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
DRD3 P35462 2/20 0.43
HRH1 P35367 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
ACHE P22303 1/20 0.41
RAD52 P43351 1/20 0.41

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
SCHEMBL2493606 0.94 DRD2 (0.52) TP53TSHRSIGMAR1HTR1ADRD2
SCHEMBL2493553 0.90 TP53 (0.60) TP53TSHRKCNH2SIGMAR1HTR1A
SCHEMBL2497811 0.90 TP53 (0.63) TP53TSHRSIGMAR1HTR1ADRD2
SCHEMBL2500682 0.90 DRD3 (0.49) TP53TSHRKCNH2SIGMAR1HTR1A
SCHEMBL2476523 0.90 TP53 (0.55) TP53SIGMAR1HTR1ADRD2HTR2A
SCHEMBL2494400 0.88 TP53 (0.53) TP53TSHRSIGMAR1HTR1ADRD2
SCHEMBL2472842 0.86 TP53 (0.55) TP53KCNH2SIGMAR1HTR1ADRD2
SCHEMBL2499209 0.85 DRD2 (0.62) TP53TSHRSIGMAR1HTR1ADRD2
SCHEMBL2493482 0.85 DRD2 (0.62) TP53SIGMAR1HTR1ADRD2HTR2A
SCHEMBL2491791 0.85 DRD2 (0.62) TP53SIGMAR1HTR1ADRD2HTR2A

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 TP53 1/4885TSHR 3771/4885KCNH2 4861/4885
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BCL2, BAX, BCL2A1 TP53 25/4885TSHR 1143/4885KCNH2 2546/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA TP53 1/4885TSHR 3898/4885KCNH2 4725/4885

“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.