SCHEMBL17537339

SCHEMBL17537339

Cc1nccc2oncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.45
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
BRD4 O60885 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 5/20 0.33
CYP3A4 P08684 5/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
USP2 O75604 1/20 0.33
MAOA P21397 2/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 2/20 0.31
DRD1 P21728 1/20 0.31
CYP2D6 P10635 2/20 0.31

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
SCHEMBL18238715 0.75 BRD4 (0.32) BRD4
SCHEMBL29954559 0.72 CCR1 (0.34) CCR1CCR5CCR8
SCHEMBL3543229 0.72
SCHEMBL2996456 0.72 COMT (0.32) KDM4E
SCHEMBL10293735 0.71 EPHX2 (0.43) BRD4CYP1A2CYP3A4HSD17B10CYP2C9
SCHEMBL17537338 0.71 CYP2A6 (0.41) CYP2A6CYP1A2CYP3A4HSD17B10CYP2C9
SCHEMBL2757287 0.70 HTR2C (0.47) CYP2A6PDE3BPDE3ADRD1
SCHEMBL12266516 0.69 CYP2A6 (0.56) CYP2A6PDE3BPDE3AL3MBTL1CYP1A2
SCHEMBL14691409 0.68 KMT2A (0.33) BRD4POLBUSP2ALDH1A1KDM4E
SCHEMBL8404485 0.68 CCR1 (0.35) CYP2A6BRD4CYP1A2CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11505541-B2 Protein kinase C inhibitors and methods of their use NOVARTIS AG (CH) 2022-11-22 US disclosed
US-20210387962-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2021-12-16 US disclosed
US-11059804-B2 Protein kinase C inhibitors and methods of their use NOVARTIS AG (CH) 2021-07-13 US disclosed
EP-3177608-B1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2019-09-18 EP disclosed
EP-3514151-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2019-07-24 EP disclosed
US-9845309-B2 Protein kinase C inhibitors and methods of their use NOVARTIS AG (CH) 2017-12-19 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-20160347737-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2016-12-01 US disclosed
US-9452998-B2 Protein kinase C inhibitors and methods of their use NOVARTIS AG (CH) 2016-09-27 US disclosed
US-20160046605-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2016-02-18 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 (6 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CYP2A6 2675/4885PDE3B 4693/4885PDE3A 4572/4885
US-20210387962-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE PRKCA, PRKCB, PRKCH CYP2A6 3008/4885PDE3B 518/4885PDE3A 470/4885
US-11505541-B2 Protein kinase C inhibitors and methods of their use PRKCA, PRKCB, PRKCH CYP2A6 3008/4885PDE3B 518/4885PDE3A 470/4885
US-20160046605-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE PRKCA, PRKCB, PRKCH CYP2A6 3008/4885PDE3B 518/4885PDE3A 470/4885
US-11059804-B2 Protein kinase C inhibitors and methods of their use PRKCA, PRKCB, PRKCH CYP2A6 3008/4885PDE3B 518/4885PDE3A 470/4885
US-20160347737-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE PRKCA, PRKCB, PRKCH CYP2A6 3008/4885PDE3B 518/4885PDE3A 470/4885

“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.