SCHEMBL3201541

SCHEMBL3201541

NC1CCc2ccc3[nH]ncc3c2N1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.34
NOS1 P29475 3/20 0.34
AXL P30530 1/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
FLT3 P36888 1/20 0.34
CCNA2 P20248 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
IDO1 P14902 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
SCHEMBL12321248 0.66 NOS1 (0.56) NOS1AXLCDK2CCNA1CCNA2
SCHEMBL20002212 0.64 CDK2 (0.47) NOS1AXLCDK2CCNA1FLT3
SCHEMBL3004803 0.62 NOS1 (0.40) NOS1AXLCDK2CCNA1CCNA2
SCHEMBL29896270 0.62 NOS1 (0.37) NOS1AXLCDK2CCNA1FLT3
SCHEMBL29896274 0.62 NOS1 (0.37) NOS1AXLCDK2CCNA1FLT3
SCHEMBL2035935 0.62 NOS1 (0.37) NOS1AXLCDK2CCNA1FLT3
SCHEMBL21219144 0.61 ESR1 (0.41) NOS1AXLCDK2CCNA1FLT3
SCHEMBL19118540 0.60 IDO1 (0.40) TRPV1NOS1AXLCDK2CCNA1
SCHEMBL23178973 0.59 CDK2 (0.42) TRPV1NOS1AXLCDK2CCNA1
SCHEMBL4108777 0.59 NOS1 (0.49) TRPV1NOS1AXLCDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472420-B2 Immune response modifier conjugates 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-11-12 US claimed
US-20150141625-A1 IMMUNE RESPONSE MODIFIER CONJUGATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-05-21 US claimed
US-20100113565-A1 IMMUNOSTIMULATORY COMBINATIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2010-05-06 US claimed
US-20100028381-A1 FORMULATION FOR DELIVERY OF IMMUNE RESPONSE MODIFIERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-02-04 US claimed
US-20090246174-A1 TREATMENT FOR CUTANEOUS T CELL LYMPHOMA 3M INNOVATIVE PROPERTIES COMPANY 2009-10-01 US claimed
EP-1804583-A4 ADJUVANT FOR DNA VACCINES 3M INNOVATIVE PROPERTIES CO (US) 2009-05-20 EP claimed
US-20090035323-A1 IMMUNE RESPONSE MODIFIER CONJUGATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2009-02-05 US claimed
EP-1988896-A2 IMMUNE RESPONSE MODIFIER CONJUGATES 3M Innovative Properties Company (US) 2008-11-12 EP claimed
EP-1968582-A2 TREATMENT FOR CUTANEOUS T CELL LYMPHOMA 3M Innovative Properties Company (US) 2008-09-17 EP claimed
WO-2008036312-A1 FUNGICIDAL METHODS USING IMMUNE RESPONSE MODIFIER COMPOUNDS COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-03-27 WO claimed
WO-2007079146-A1 TREATMENT FOR NON-HODGKIN'S LYMPHOMA COLEY PHARMACEUTICAL GROUP, INC (US) 2007-07-12 WO claimed
EP-1804583-A2 ADJUVANT FOR DNA VACCINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-07-11 EP claimed
EP-1799256-A2 METHOD OF ELICITING AN IMMUNE RESPONSE AGAINST HIV 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-06-27 EP claimed
WO-2006130399-A2 THERAPEUTIC COMBINATIONS AND METHODS INCLUDING IRM COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-12-07 WO claimed
WO-2006063152-A2 IMMUNOSTIMULATORY COMBINATIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-15 WO claimed
WO-2006042254-A2 ADJUVANT FOR DNA VACCINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-20 WO claimed
WO-2006026394-A2 METHOD OF ELICITING AN IMMUNE RESPONSE AGAINST HIV 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 WO claimed
US-20060045885-A1 Method of eliciting an immune response against HIV GOVERNMENT OF THE UNITED STRATS OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, THE 2006-03-02 US claimed
US-20050267145-A1 Treatment for lung cancer COLEY PHARMACEUTICAL GROUP, INC. 2005-12-01 US claimed
US-20050226878-A1 Therapeutic combinations and methods including IRM compounds 3M INNOVATIVE PROPERTIES COMPANY 2005-10-13 US claimed

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-20100028381-A1 FORMULATION FOR DELIVERY OF IMMUNE RESPONSE MODIFIERS GHITM, IFNG, ICOS TRPV1 1323/4885NOS1 2324/4885AXL 4003/4885
US-20150141625-A1 IMMUNE RESPONSE MODIFIER CONJUGATES IFNG, CD74, MYD88 TRPV1 4320/4885NOS1 3142/4885AXL 1437/4885
US-20090035323-A1 IMMUNE RESPONSE MODIFIER CONJUGATES IFNG, CD74, MYD88 TRPV1 4320/4885NOS1 3142/4885AXL 1437/4885
US-10472420-B2 Immune response modifier conjugates IFNG, CD74, MYD88 TRPV1 4320/4885NOS1 3142/4885AXL 1437/4885
US-20060045885-A1 Method of eliciting an immune response against HIV CD69, IRF3, CD4 TRPV1 2423/4885NOS1 3183/4885AXL 4538/4885

“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.