SCHEMBL12646947

SCHEMBL12646947

Clc1ccc(CNc2ccc(CC3CNc4ncccc43)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ CXCR4 P61073 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ P2RX7 Q99572 2/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ GPR39 O43194 2/20 0.36
▸ FABP1 P07148 1/20 0.35
▸ FABP6 P51161 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL13056490 0.91 FABP1 (0.45) KDM4EALDH1A1NPC1GAARAB9A
SCHEMBL12646870 0.89 CLK4 (0.42) KDM4EALDH1A1NPC1GAARAB9A
SCHEMBL12647025 0.89 GPR55 (0.49) KDM4EALDH1A1MAPTCXCR4CSF1R
SCHEMBL12927279 0.88 P2RX7 (0.40) KDM4EMAPTGAAPOLBP2RX7
SCHEMBL13056388 0.86 CSF1R (0.52) NPC1RAB9ACXCR4P2RX7CSF1R
SCHEMBL12926539 0.83 SMN1; SMN2 (0.45) ALDH1A1NPC1RAB9AMEN1LMNA
SCHEMBL14194677 0.83 CSF1R (0.43) NPC1RAB9ACSF1RKIT
SCHEMBL12927195 0.83 GPR55 (0.35) NPC1RAB9ADYRK1ACXCR4CSF1R
SCHEMBL12926932 0.83 STIM1 (0.39) NPC1RAB9ACXCR4P2RX7CSF1R
SCHEMBL13976937 0.83 KDM4E (0.41) KDM4EALDH1A1CLK4DYRK1APOLB

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-7947708-B2 Compounds modulating C-kit activity PLEXXIKON, INC. (US) 2011-05-24 — — US disclosed
US-20090105297-A1 Compounds Modulating C-Kit Activity PLEXXIKON INC 2009-04-23 — — 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-20090105297-A1 Compounds Modulating C-Kit Activity KIT, CDC7, CDK7 KDM4E 399/4885ALDH1A1 2624/4885MAPT 4263/4885

“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.

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