SCHEMBL3398576

SCHEMBL3398576

Nc1ccnc(N=Nc2ccccc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.45
MAPT P10636 8/20 0.45
MEN1 O00255 7/20 0.45
RAB9A P51151 4/20 0.45
PKM P14618 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TRPA1 O75762 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 1/20 0.44
MAPK1 P28482 7/20 0.41
TDP1 Q9NUW8 7/20 0.41
NPC1 O15118 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP3A4 P08684 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CYP2C9 P11712 3/20 0.40
HIF1A Q16665 3/20 0.40
LMNA P02545 3/20 0.40
OPRK1 P41145 2/20 0.40

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
SCHEMBL4780554 0.79 KMT2A (0.53) KMT2AMAPTMEN1RAB9APKM
SCHEMBL11115018 0.79 MAOA (0.50) KMT2AMAPTPKMHTTALDH1A1
SCHEMBL5310168 0.74 MAPT (0.50) KMT2AMAPTMEN1RAB9APKM
SCHEMBL3398571 0.70 MEN1 (0.51) KMT2AMAPTMEN1RAB9APKM
Azobenzene SCHEMBL28491539 0.69 ALDH1A1 (0.92) KMT2AMAPTMEN1RAB9APKM
Azobenzene SCHEMBL28491537 0.69 ALDH1A1 (0.92) KMT2AMAPTMEN1RAB9APKM
Hydrochloric Acid SCHEMBL2234488 0.69 MAPT (0.53) KMT2AMAPTMEN1RAB9APKM
SCHEMBL2266835 0.68 CYP3A4 (0.64) KMT2AMAPTMEN1RAB9APKM
SCHEMBL2266833 0.68 CYP3A4 (0.64) KMT2AMAPTMEN1RAB9APKM
SCHEMBL2565537 0.68 TRPA1 (0.50) KMT2AMAPTMEN1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
US-20070299043-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-12-27 US disclosed
US-20070208134-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-09-06 US disclosed
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 2007-08-23 US disclosed
US-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
WO-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007041463-A2 ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041593-A2 ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 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 (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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A KMT2A 1108/4885MAPT 1527/4885MEN1 3638/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 KMT2A 2353/4885MAPT 3341/4885MEN1 4701/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 KMT2A 3554/4885MAPT 3204/4885MEN1 3880/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 KMT2A 2943/4885MAPT 4480/4885MEN1 2768/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 KMT2A 3554/4885MAPT 3204/4885MEN1 3880/4885

“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.