SCHEMBL1017978

SCHEMBL1017978

Clc1sc(NCc2ccccc2)nc1-c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HIF1A Q16665 3/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
FABP1 P07148 1/20 0.45
FABP6 P51161 1/20 0.45
PDE5A O76074 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR39 O43194 1/20 0.43
KLKB1 P03952 4/20 0.42
F2 P00734 2/20 0.42
F10 P00742 2/20 0.42
KLK1 P06870 1/20 0.42
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 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
SCHEMBL1017669 0.73 ALDH1A1 (0.67) KMT2ALMNAMAPTNPC1MEN1
SCHEMBL16137403 0.71 NPC1 (0.60) KMT2ALMNAMAPTNPC1MEN1
SCHEMBL23085138 0.70 CCNA2 (0.33) LMNAMAPTHIF1ASMN1; SMN2KDM4E
SCHEMBL5174953 0.69 KCNN1 (0.61) KMT2ANPC1MEN1RAB9AKDM4E
SCHEMBL3457948 0.69 ROCK2 (0.50) KMT2ALMNAMAPTNPC1MEN1
SCHEMBL1913680 0.67 NPC1 (0.71) KMT2ALMNAMAPTNPC1MEN1
SCHEMBL29001611 0.66 ADRA1D (0.61) KMT2AHIF1ANPC1MEN1FABP1
SCHEMBL23405896 0.66 FABP1 (0.54) KMT2AHIF1ANPC1MEN1FABP1
SCHEMBL29743851 0.66 FABP1 (0.54) KMT2AHIF1ANPC1MEN1FABP1
SCHEMBL16068669 0.66 FABP1 (0.46) KMT2AHIF1ANPC1MEN1NR1H4

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 US disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 US disclosed
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-02-01 US disclosed
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-02-01 US disclosed
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 US disclosed
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 US disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 WO disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 WO disclosed
WO-2009086324-A1 ANTI-HEDGEHOG ANTIBODIES GENENTECH, INC. (US) 2009-07-09 WO disclosed
CN-101072755-A Pyridyl inhibitors of Hedgehog signaling GENENTECH INC (US) 2007-11-14 CN disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 EP disclosed
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 US disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 WO disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 WO 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 (8 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-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO KMT2A 1528/4885LMNA 3716/4885MAPT 3822/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO KMT2A 1528/4885LMNA 3716/4885MAPT 3822/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO KMT2A 1487/4885LMNA 3718/4885MAPT 3696/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO KMT2A 1528/4885LMNA 3716/4885MAPT 3822/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO KMT2A 1528/4885LMNA 3716/4885MAPT 3822/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO KMT2A 1528/4885LMNA 3716/4885MAPT 3822/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO KMT2A 1528/4885LMNA 3716/4885MAPT 3822/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO KMT2A 1528/4885LMNA 3716/4885MAPT 3822/4885

“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.