SCHEMBL10003237

SCHEMBL10003237

CCOC(=O)c1c(O)c2nc(-c3ccccc3)c(C)nc2n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ CYP2C19 P33261 3/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ GABRA2 P47869 3/20 0.49
▸ GABRB2 P47870 3/20 0.49
▸ ADORA3 P0DMS8 4/20 0.48
▸ RARA P10276 1/20 0.46
▸ RARB P10826 1/20 0.46
▸ RARG P13631 1/20 0.46
▸ LMNA P02545 2/20 0.46

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
SCHEMBL10002988 0.89 GABRA2 (0.50) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL10003360 0.84 CYP1A2 (0.47) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL10004308 0.81 CYP1A2 (0.44) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL10003506 0.80 P2RX3 (0.50) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10003266 0.78 GABRA2 (0.49) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL6257997 0.75 CYP1A2 (0.62) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL10003477 0.74 HTT (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL10003357 0.74 ALDH1A1 (0.45) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9456708 0.73 CYP1A2 (0.61) RAB9ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL10003546 0.72 ADORA3 (0.57) RAB9ACYP1A2CYP2C9CYP2C19NPC1

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
EP-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP 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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH RAB9A 1389/4885CYP1A2 1170/4885CYP2C9 1142/4885

“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.

Send feedback