SCHEMBL7217640

SCHEMBL7217640

COc1nccc2cc(C)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.40
DYRK1A Q13627 3/20 0.36
DYRK2 Q92630 3/20 0.36
DYRK1B Q9Y463 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CDK9 P50750 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DYRK3 O43781 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNB2 O95067 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CDK1 P06493 1/20 0.36
ADRA2A P08913 1/20 0.36
CCNB1 P14635 1/20 0.36
HPGD P15428 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CCNA2 P20248 1/20 0.36

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
SCHEMBL29856250 0.78 LOXL2 (0.39) DYRK1ACYP1A2CYP3A4CYP2D6TRPA1
SCHEMBL24896318 0.77 CYP2A6 (0.38) DYRK1ACYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL24896317 0.76 HPGD (0.49) KDM4EALDH1A1HPGDHSD17B10SYK
SCHEMBL5806689 0.75 MPO (0.42) KDM4EHTR6SMN1; SMN2MAPTMEN1
SCHEMBL30220574 0.74 XDH (0.47) CYP1A2SMN1; SMN2SYKMAPT
SCHEMBL8266924 0.74 NOS2 (0.41) KDM4EROCK1SMN1; SMN2CYP19A1MEN1
SCHEMBL2470176 0.74 RXFP1 (0.41) DYRK1AKDM4ESMN1; SMN2CYP19A1MAPT
Hydrochloric Acid SCHEMBL5806738 0.74 MPO (0.41) KDM4EHTR6SMN1; SMN2MAPTMEN1
SCHEMBL27335723 0.74 RAB9A (0.52) KDM4EALDH1A1CDK1CCNB1HPGD
SCHEMBL3207779 0.71 ALDH1A1 (0.42) AXLDYRK1ADYRK2DYRK1BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653304-B2 Antiarthritic agents; skin disorders; anticarcinogenic agents BRISTOL-MYERS SQUIBB CO. 2003-11-25 US disclosed
EP-1254115-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS FOR TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES Bristol-Myers Squibb Company (US) 2002-11-06 EP disclosed
US-20020119972-A1 Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases BRISTOL-MYERS SQUIBB COMPANY 2002-08-29 US disclosed
WO-2001058869-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS IN TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-16 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 (1 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-20020119972-A1 Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases CNR1, CNR2, GPR18 AXL 1714/4885DYRK1A 1835/4885DYRK2 2334/4885

“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.