SCHEMBL6417552

SCHEMBL6417552

CC(Cc1ccccc1)c1cnc(N)nc1Nc1nc(-c2ccccc2)cc2ncnn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 7/20 0.35
CALCA P06881 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
HRH4 Q9H3N8 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MET P08581 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
PKM P14618 1/20 0.32
POLB P06746 2/20 0.32
AHR P35869 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL6414308 0.82 ALDH1A1 (0.37) ALDH1A1MAPK1TSHRKDM4ECALCA
SCHEMBL6421458 0.78 ALDH1A1 (0.36) ALDH1A1MAPK1TSHRKDM4ESMN1; SMN2
SCHEMBL6413611 0.73 ENPP1 (0.31) ALDH1A1MAPK1KDM4ESMN1; SMN2NPC1
SCHEMBL6414196 0.71 ENPP1 (0.30) PIK3CD
SCHEMBL6415712 0.69 MEN1 (0.39) ALDH1A1MAPK1TSHRNPC1RAB9A
SCHEMBL6419765 0.67 PIK3CD (0.32) ALDH1A1KDM4ESMN1; SMN2PIK3CD
SCHEMBL16966453 0.67 P2RX3 (0.46)
SCHEMBL6415729 0.66 PIK3CD (0.32) PIK3CD
SCHEMBL5315895 0.65 KDM4E (0.54) ALDH1A1MAPK1TSHRKDM4ESMN1; SMN2
SCHEMBL5314326 0.65 SMN1; SMN2 (0.45) ALDH1A1MAPK1TSHRKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 US claimed
US-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 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-20050288502-A1 Substituted heterocyclic compounds and methods of use MYLK2, IAPP, MAPT ALDH1A1 3162/4885MAPK1 1274/4885TSHR 2476/4885

“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.