SCHEMBL2495418

SCHEMBL2495418

Cc1nc(Nc2nc(=O)c3c([nH]2)CCCC3)nc2c(C)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 2/20 0.48
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
STAT3 P40763 3/20 0.42
TP53 P04637 1/20 0.42
STAT1 P42224 1/20 0.42
MDM4 O15151 1/20 0.39
LMNA P02545 1/20 0.39
AHR P35869 1/20 0.39
MDM2 Q00987 1/20 0.39
MAPK1 P28482 1/20 0.39
PARP1 P09874 3/20 0.39
PKM P14618 2/20 0.38

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
SCHEMBL2466688 0.86 ALPL (0.43) MAPTALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL2492606 0.80 ALPL (0.47) MAPTALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL838542 0.77 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL9878442 0.76 MEN1 (0.53) MAPTALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL15840587 0.73 MAPT (0.52) MAPTALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL15840786 0.72 MAPT (0.60) MAPTALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL15840582 0.72 ALPL (0.65) MAPTALDH1A1SMN1; SMN2KMT2AALPL
SCHEMBL9878901 0.72 EGFR (0.49) MAPTALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL15840709 0.71 MAPT (0.52) MAPTALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL15840687 0.70 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2KMT2AHSD17B10

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
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO claimed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 WO claimed
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2019-01-24 US disclosed
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 US disclosed
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 US disclosed
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO disclosed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 MAPT 1076/4885ALDH1A1 4348/4885SMN1; SMN2 3999/4885
US-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 MAPT 3443/4885ALDH1A1 2506/4885SMN1; SMN2 370/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MAPT 3443/4885ALDH1A1 2506/4885SMN1; SMN2 370/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 MAPT 3443/4885ALDH1A1 2506/4885SMN1; SMN2 370/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MAPT 3443/4885ALDH1A1 2506/4885SMN1; SMN2 370/4885

“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.