SCHEMBL3701328

SCHEMBL3701328

O=C(Nc1ccc(C2=CCNCC2)cn1)n1cc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.49
NAMPT P43490 10/20 0.48
CDK4 P11802 3/20 0.43
CDK6 Q00534 3/20 0.43
SIGMAR1 Q99720 1/20 0.42
HTR2C P28335 1/20 0.41
QDPR P09417 1/20 0.40
HTR6 P50406 1/20 0.39

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
SCHEMBL3706873 0.84 NAMPT (0.67) NAMPTSIGMAR1HTR2CQDPRHTR6
SCHEMBL3701332 0.83 NAMPT (0.72) WNT3ANAMPT
SCHEMBL24267829 0.79 WNT3A (0.59) WNT3ANAMPTCDK4CDK6SIGMAR1
SCHEMBL3701244 0.78 NAMPT (0.48) WNT3ANAMPTHTR6
Hydrochloric Acid SCHEMBL29771347 0.78 WNT3A (0.58) WNT3ANAMPTCDK4CDK6SIGMAR1
SCHEMBL24671307 0.74 WNT3A (0.54) WNT3ANAMPTCDK4CDK6SIGMAR1
SCHEMBL3707742 0.71 RAB9A (0.56)
SCHEMBL29803282 0.69 CCNT1 (0.49) WNT3ANAMPTCDK4CDK6HTR2C
SCHEMBL29803621 0.69 QDPR (0.54) WNT3ACDK4CDK6QDPR
Trifluoroacetic Acid SCHEMBL29803488 0.69 WNT3A (0.49) WNT3ANAMPTCDK4CDK6SIGMAR1

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
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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 (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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK WNT3A 3702/4885NAMPT 1/4885CDK4 1531/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 WNT3A 2849/4885NAMPT 1/4885CDK4 2883/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 WNT3A 2849/4885NAMPT 1/4885CDK4 2883/4885

“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.