SCHEMBL18152008

SCHEMBL18152008

N=C(N)c1ncc2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.47
KDM4E B2RXH2 11/20 0.47
MAPT P10636 7/20 0.47
CHEK1 O14757 1/20 0.47
LIMK1 P53667 1/20 0.47
MAPK14 Q16539 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 6/20 0.43
HSD17B10 Q99714 3/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 7/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 3/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GFER P55789 1/20 0.39

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
SCHEMBL20455586 0.82 KDM4E (0.47) ALDH1A1KDM4EMAPTCHEK1LIMK1
SCHEMBL16473318 0.76 KDM4E (0.53) ALDH1A1KDM4EMAPTCHEK1LIMK1
SCHEMBL15094046 0.71 RAB9A (0.42) ALDH1A1KDM4EMAPTCHEK1LIMK1
SCHEMBL1204348 0.71 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTCHEK1LIMK1
SCHEMBL31447720 0.71 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTCHEK1LIMK1
SCHEMBL23246964 0.71 KDM4E (0.55) ALDH1A1KDM4EMAPTCHEK1LIMK1
SCHEMBL334476 0.71 KDM4E (0.55) ALDH1A1KDM4EMAPTCHEK1LIMK1
SCHEMBL20674503 0.71 KDM4E (0.55) ALDH1A1KDM4EMAPTCHEK1LIMK1
SCHEMBL15747655 0.69 NPC1 (0.53) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL27921919 0.69 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTCHEK1LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044325-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. 2018-02-15 US disclosed
US-9868722-B2 Monocyclic pyrimidine/pyridine compounds as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2018-01-16 US disclosed
US-9828363-B2 Fused pyrimidines as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2017-11-28 US disclosed
US-20160332990-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-11-17 US disclosed
US-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-10-20 US 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 (3 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-20160332990-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX WDR77, POP1, PSMG3 ALDH1A1 3652/4885KDM4E 3475/4885MAPT 3363/4885
US-20180044325-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX WDR77, POP1, PSMG3 ALDH1A1 3662/4885KDM4E 3452/4885MAPT 3338/4885
US-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX PSMG3, PSMD2, PSME1 ALDH1A1 2684/4885KDM4E 2933/4885MAPT 1413/4885

“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.