SCHEMBL5035931

SCHEMBL5035931

Cc1nc2c(ccn2C)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CRBN Q96SW2 1/20 0.34
HSD11B1 P28845 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CB P42338 1/20 0.32
ESRRA P11474 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
PRKCI P41743 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL5036607 0.77 CLK4 (0.44) KDM4EPIK3CBPRKCI
SCHEMBL5039569 0.77 KDM4E (0.33) KDM4ECYP2C9CYP2C19PIK3CBPRKCI
SCHEMBL5039473 0.74 MEN1 (0.36) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL5039614 0.70 MAPT (0.40) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL5039744 0.67 KDM4E (0.42) KDM4EALDH1A1LMNAMAPTCYP1A2
SCHEMBL5039671 0.64 CYP3A4 (0.37) KDM4EALDH1A1LMNAMAPTCYP1A2
SCHEMBL5041694 0.64 LPO (0.44) KDM4EALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL7914425 0.62 CCR1 (0.42) KDM4ELMNACYP1A2CRBNHSD11B1
SCHEMBL353890 0.62 SMN1; SMN2 (0.63) KDM4EALDH1A1LMNAMAPTCYP3A4
SCHEMBL13916682 0.62 KDM4E (0.69) KDM4EALDH1A1LMNAMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 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 (1 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B KDM4E 1003/4885ALDH1A1 492/4885LMNA 351/4885

“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.