SCHEMBL215544

SCHEMBL215544

COc1nc(C)c(C)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
CYP3A4 P08684 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
AURKA O14965 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
POLB P06746 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
DHFR P00374 2/20 0.36
ALDH1A1 P00352 2/20 0.35
RECQL P46063 1/20 0.35
TERT O14746 1/20 0.34
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL38665916 1.00 PIK3CA (0.41) PIK3CAMAPTCASP1CYP3A4TSHR
SCHEMBL11993969 0.84 PIK3CA (0.41) PIK3CAMAPTCASP1CYP3A4TSHR
SCHEMBL31345511 0.83 PIK3CA (0.37) PIK3CAMAPTCASP1CYP3A4TSHR
SCHEMBL1674658 0.83 PIK3CA (0.37) PIK3CAMAPTCASP1CYP3A4TSHR
SCHEMBL15339519 0.79 RECQL (0.38) MAPTPOLBNOS3NOS1NOS2
SCHEMBL790423 0.79 POLB (0.45) PIK3CAMAPTCASP1CYP3A4AURKA
SCHEMBL33961 0.79 MAPT (0.44) PIK3CAMAPTCASP1CYP3A4TSHR
SCHEMBL4864975 0.79 MAPT (0.44) PIK3CAMAPTCASP1CYP3A4TSHR
Hydrochloric Acid SCHEMBL970834 0.77 MAPT (0.42) PIK3CAMAPTCASP1CYP3A4TSHR
Hydrochloric Acid SCHEMBL2479718 0.77 MAPT (0.42) PIK3CAMAPTCASP1CYP3A4TSHR

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 WO disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
CN-100575345-C 2 type Cannabined receptors are had in conjunction with active Pyridione derivatives SHIONOGI & CO 2009-12-30 CN disclosed
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor TADA YUKIO 2006-03-09 US disclosed
US-6977266-B2 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2005-12-20 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
CN-1152015-C Piperazine devivatives and process for preparation thereof ������ҩ��ʽ���� 2004-06-02 CN disclosed
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2004-04-29 US disclosed
CN-1492856-A Pyridone derivative having affinity for cannabinoid 2-type receptor ��Ұ����ҩ��ʽ���� 2004-04-28 CN disclosed
EP-1357111-A1 PYRIDONE DERIVATIVE HAVING AFFINITY FOR CANNABINOID 2-TYPE RECEPTOR SHIONOGI & CO., LTD. (JP) 2003-10-29 EP disclosed
US-20020019389-A1 Urea derivative useful as an anti-cancer agent and process for preparing same CHACONNE NSI CO., LTD. (KR) 2002-02-14 US disclosed
CN-1196724-A Novel piperazine derivative and process for producing the same SAMJIN PHARM CO LTD (KR) 1998-10-21 CN 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 (5 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R PIK3CA 2449/4885MAPT 4074/4885CASP1 3228/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 PIK3CA 3639/4885MAPT 3869/4885CASP1 1977/4885
US-20020019389-A1 Urea derivative useful as an anti-cancer agent and process for preparing same UTS2R, SLC14A1, URB2 PIK3CA 2268/4885MAPT 4198/4885CASP1 1264/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R PIK3CA 2479/4885MAPT 4248/4885CASP1 3197/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R PIK3CA 2191/4885MAPT 4340/4885CASP1 3415/4885

“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.