SCHEMBL5635641

SCHEMBL5635641

CS(=O)(=O)CCNCc1ccco1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.57
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
TSHR P16473 3/20 0.50
ALDH1A1 P00352 5/20 0.47
POLB P06746 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 2/20 0.44
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL1642902 0.80 CHRM2 (0.77) CHRM2CA12CA1CA2CA4
SCHEMBL354774 0.78 CHRM2 (0.68) CHRM2CA12CA1CA2CA4
SCHEMBL7468419 0.77 CHRM2 (0.67) CHRM2CA12CA1CA2CA4
SCHEMBL13278276 0.76 CHRM2 (0.85) CHRM2CA12CA1CA2CA4
SCHEMBL30141723 0.76 CHRM2 (0.92) CHRM2CA12CA1CA2CA4
SCHEMBL843371 0.75 CHRM2 (0.69) CHRM2CA12CA1CA2CA4
Hydrochloric Acid SCHEMBL31169750 0.75 CHRM2 (0.65) CHRM2CA12CA1CA2CA4
SCHEMBL15379600 0.75 ALDH1A1 (0.59) TSHRALDH1A1POLBMAPTTDP1
SCHEMBL11069595 0.74 CHRM2 (0.96) CHRM2CA12CA1CA2CA4
SCHEMBL11073153 0.74 CHRM2 (0.96) CHRM2CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102918044-A Fused quinazoline derivatives and uses thereof SHENZHEN SALUBRIS PHARM CO LTD 2013-02-06 CN claimed
US-20070099917-A1 Novel inhibitors and methods for their preparation THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-05-03 US claimed
CN-105017162-B 4 pairs of propenylbenzene amido quinazoline derivatives and its application in antineoplastic is prepared 陕西师范大学 2017-10-27 CN disclosed
CN-105017162-B 4 pairs of propenylbenzene amido quinazoline derivatives and its application in antineoplastic is prepared 陕西师范大学 2017-10-27 CN disclosed
CN-102918044-A Fused quinazoline derivatives and uses thereof SHENZHEN SALUBRIS PHARM CO LTD 2013-02-06 CN disclosed
CN-102532109-A Synthetic method of lapatinib and salt of lapatinib ZHEJIANG HISUN PHARM CO LTD 2012-07-04 CN disclosed
US-20070099917-A1 Novel inhibitors and methods for their preparation THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-05-03 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-20070099917-A1 Novel inhibitors and methods for their preparation TK1, ABL1, FLT3 CHRM2 4840/4885CA12 2843/4885CA1 2277/4885

“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.