SCHEMBL4907107

SCHEMBL4907107

Clc1nc2ncnc-2c(N2CCN(c3ccccn3)CC2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
PLD1 Q13393 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD4 P21917 3/20 0.41

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
SCHEMBL4901811 0.84 KDM4E (0.38) MAPTRAB9AALDH1A1CYP3A4KMT2A
Hydrochloric Acid SCHEMBL4911304 0.83 KDM4E (0.41) MAPTRAB9AALDH1A1CYP3A4KMT2A
SCHEMBL4913227 0.83 MAPT (0.40) MAPTRAB9AABCC1ABCG2ALDH1A1
SCHEMBL4908143 0.83 HTR3E (0.48) MAPTRAB9AALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL4899154 0.82 MAPT (0.39) MAPTRAB9AABCC1ABCG2ALDH1A1
Hydrochloric Acid SCHEMBL4901792 0.82 HTR3E (0.47) MAPTRAB9AALDH1A1KMT2AMEN1
SCHEMBL4922170 0.82 NPC1 (0.49) RAB9AALDH1A1HSD17B10SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL4926745 0.81 NPC1 (0.48) RAB9AALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL4910047 0.79 ALDH1A1 (0.46) MAPTRAB9AABCB1ABCC1ABCG2
SCHEMBL4908538 0.78 HPGD (0.36) RAB9AALDH1A1HSD17B10SMN1; SMN2HPGD

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-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-05-22 US claimed
US-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-05-22 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-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof TYMP, HPRT1, IMPDH1 MAPT 4400/4885RAB9A 3384/4885PLD1 1207/4885

“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.