SCHEMBL20955519

SCHEMBL20955519

CON(C)C(=O)Cc1ccnc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.51
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ MAPK8 P45983 2/20 0.42
▸ MAPK9 P45984 2/20 0.42
▸ MAPK10 P53779 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HTR2C P28335 2/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ PDK1 Q15118 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL6176970 0.78 TDP1 (0.56) CYP1A2MAPK8MAPK9MAPK10CYP3A4
SCHEMBL6670697 0.77 CYP1A2 (0.60) CYP1A2LOXL2MAPK9CYP3A4CYP2D6
SCHEMBL6174947 0.77 PKM (0.54) CYP1A2LOXL2L3MBTL1ALDH1A1HPGD
SCHEMBL1888048 0.77 PREP (0.44) CYP1A2CYP3A4HTR2CHTR2BALDH1A1
SCHEMBL13496176 0.75 CYP4F2 (0.45) CYP1A2CYP3A4CYP2D6L3MBTL1ALDH1A1
SCHEMBL5456634 0.75 CYP1A2 (0.67) CYP1A2LOXL2CYP3A4CYP2D6HIF1A
SCHEMBL18505712 0.75 HDAC4 (0.37) HIF1AFAAHALDH1A1HPGDHSD17B10
SCHEMBL25139494 0.74 CYP1A2 (0.57) CYP1A2LOXL2MAPK9CYP3A4CYP2D6
SCHEMBL20346367 0.74 NAPRT (0.44) CYP1A2L3MBTL1
SCHEMBL3775943 0.73 CYP1A2 (0.60) CYP1A2LOXL2MAPK9CYP3A4CYP2D6

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
EP-3480193-B1 PYRAZOLE DERIVATIVES AS ALK5 INHIBITORS AND USES THEREOF HANMI PHARMACEUTICAL CO LTD (KR) 2024-05-29 — — EP disclosed
US-10954232-B2 Pyrazole derivative as ALK5 inhibitor and uses thereof HANMI PHARMACEUTICAL CO., LTD. (KR) 2021-03-23 — — US disclosed
US-20190194198-A1 NOVEL PYRAZOLE DERIVATIVE AS ALK5 INHIBITOR AND USES THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 2019-06-27 — — US disclosed
EP-3480193-A1 NOVEL PYRAZOLE DERIVATIVE AS ALK5 INHIBITOR AND USES THEREOF Hanmi Pharmaceutical Co., Ltd. (KR) 2019-05-08 — — 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 (2 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-20190194198-A1 NOVEL PYRAZOLE DERIVATIVE AS ALK5 INHIBITOR AND USES THEREOF ALK, SMAD3, TGFBR1 CYP1A2 4593/4885LOXL2 927/4885MAPK8 256/4885
US-10954232-B2 Pyrazole derivative as ALK5 inhibitor and uses thereof ALK, SMAD3, TGFBR1 CYP1A2 4586/4885LOXL2 812/4885MAPK8 231/4885

“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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