SCHEMBL3228458

SCHEMBL3228458

Cc1ccn(-c2ccc(Cl)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.44
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
MGLL Q99685 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
POLB P06746 2/20 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
SCHEMBL18850042 0.84 MGLL (0.43) NOTUMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19454426 0.78 ACHE (0.44) NOTUMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28140519 0.78 ACHE (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1670288 0.75 CYP1A2 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3228445 0.74 NOTUM (0.44) NOTUMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10151044 0.74 ALDH1A1 (0.48) NOTUMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27981495 0.74 NOTUM (0.44) NOTUMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19625423 0.74 NOTUM (0.40) NOTUMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27105278 0.74 CYP2A6 (0.50) NOTUMPOLBELANEALDH1A1CYP2A6
SCHEMBL28278816 0.73 HSP90AA1 (0.41) NOTUMTUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 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 (2 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 NOTUM 4296/4885TUBB4A 3544/4885TUBB 3560/4885
US-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 NOTUM 2948/4885TUBB4A 3874/4885TUBB 3913/4885

“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.