SCHEMBL3152503

SCHEMBL3152503

CNc1ccc(-c2ccc(NC)cn2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RRM2 P31350 1/20 0.40
EGFR P00533 2/20 0.39
TSHR P16473 1/20 0.38
PTPN1 P18031 3/20 0.36
APP P05067 3/20 0.34
P4HA1 P13674 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
PTPN2 P17706 1/20 0.34
AURKA O14965 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 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
SCHEMBL27993051 0.85 KDM4E (0.54) CCR1CCR5CCR8P4HTMALDH1A1
SCHEMBL9057614 0.83 BAZ2B (0.53) TSHRPTPN1PTPN2CYP3A4BAZ2B
SCHEMBL23074548 0.82 METAP2 (0.61) METAP2
SCHEMBL16285506 0.81 KIF11 (0.45) CCR1CCR5CCR8HDAC6EGFR
SCHEMBL14355084 0.81 CYP11B1 (0.45) PTPN1PTPN2AURKAABL1NTRK1
SCHEMBL6673320 0.81 AURKA (0.55) CCR1CCR5CCR8HDAC6PTPN1
SCHEMBL1744310 0.81 PTPN1 (0.55) PTPN1APPPTPN2AURKAABL1
SCHEMBL19156327 0.81 CHRM2 (0.35) CCR1CCR5CCR8HDAC6RRM2
SCHEMBL22911701 0.80 PTPN1 (0.42) RRM2PTPN1APPPTPN2AURKA
SCHEMBL26739769 0.78 CYP1A2 (0.50) TSHRPTPN1ALDH1A1HSD17B10METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140361285-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2014-12-11 US disclosed
US-8455690-B2 Method for producing arylhydroxylamine WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-06-04 US disclosed
US-20100113830-A1 METHOD FOR PRODUCING ARYLHYDROXYLAMINE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-05-06 US disclosed
EP-2154125-A1 METHOD FOR PRODUCING ARYLHYDROXYLAMINE Wako Pure Chemical Industries, Ltd. (JP) 2010-02-17 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-20100113830-A1 METHOD FOR PRODUCING ARYLHYDROXYLAMINE PAH, APEH, HPD CCR1 3662/4885CCR5 3660/4885CCR8 3325/4885

“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.