SCHEMBL13963085

SCHEMBL13963085

Cc1cc(Nc2ccc(N3CCOCC3)cc2)nc(N)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.68
MAPT P10636 6/20 0.65
MAPK1 P28482 4/20 0.65
TP53 P04637 1/20 0.65
LMNA P02545 3/20 0.63
CYP1A2 P05177 2/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
CYP2D6 P10635 1/20 0.57
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
POLB P06746 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 3/20 0.55
ROCK2 O75116 1/20 0.51
DNMT1 P26358 1/20 0.51
DNMT3L Q9UJW3 1/20 0.51

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
Hydrochloric Acid SCHEMBL4527149 0.99 IGF1R (0.67) IGF1RMAPTMAPK1TP53LMNA
SCHEMBL11347299 0.81 IGF1R (1.00) IGF1RMAPTMAPK1TP53LMNA
SCHEMBL11342243 0.77 IGF1R (0.83) IGF1RMAPTMAPK1TP53LMNA
SCHEMBL12218264 0.77 RAB9A (0.76) MAPTTP53LMNACYP1A2RAB9A
SCHEMBL12218261 0.77 RAB9A (0.76) MAPTCYP1A2RAB9ANPC1CYP3A4
SCHEMBL11346300 0.76 IGF1R (0.74) IGF1RMAPTMAPK1TP53LMNA
Hydrochloric Acid SCHEMBL4523617 0.75 RAB9A (0.73) MAPTTP53LMNACYP1A2RAB9A
SCHEMBL28736434 0.75 PIK3CB (0.67) IGF1RMAPTMAPK1LMNACYP1A2
SCHEMBL13963079 0.74 RAB9A (0.71) MAPTCYP1A2RAB9ANPC1CYP3A4
SCHEMBL13963078 0.74 RAB9A (0.71) MAPTCYP1A2RAB9ANPC1CYP3A4

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-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B IGF1R 1103/4885MAPT 2855/4885MAPK1 2394/4885

“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.