SCHEMBL1747668

SCHEMBL1747668

O=C1NCCNC1c1ccc(Cl)nc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.46
CHRNB2 P17787 8/20 0.44
CHRNA4 P43681 8/20 0.44
CHRNB4 P30926 5/20 0.44
CHRNA3 P32297 5/20 0.44
CHRNA7 P36544 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
HPGD P15428 1/20 0.41
CHRND Q07001 1/20 0.41
CHRNA2 Q15822 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL1747783 0.81 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1673497 0.78 SLC6A3 (0.47) MAP4K1CHRNA7ALDH1A1
SCHEMBL22229949 0.77 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL27585166 0.75 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3256237 0.74 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL12778051 0.74 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3256240 0.74 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL10375118 0.73 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7ALDH1A1MEN1
SCHEMBL4025017 0.73 SLC6A2 (0.51) MAP4K1MEN1KMT2A
SCHEMBL17055320 0.70 SMN1; SMN2 (0.42) MAP4K1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019518-A1 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2022-06-29 EP disclosed
EP-3110820-B1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI INC (US) 2022-04-06 EP disclosed
US-10196390-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2019-02-05 US disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
US-9340540-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2016-05-17 US disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
US-7557132-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2009-07-07 US disclosed
EP-1572656-A4 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2006-09-06 EP disclosed
US-20060063741-A1 Compounds useful as pesticides BENKO ZOLTAN L 2006-03-23 US disclosed
EP-1572656-A2 COMPOUNDS USEFUL AS PESTICIDES Dow Agrosciences LLC (US) 2005-09-14 EP disclosed
WO-2004057960-A2 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2004-07-15 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 (5 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-10196390-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 MAP4K1 185/4885CHRNB2 3189/4885CHRNA4 4028/4885
US-20060063741-A1 Compounds useful as pesticides DDT, ACHE, BCHE MAP4K1 4229/4885CHRNB2 1113/4885CHRNA4 1322/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE MAP4K1 4229/4885CHRNB2 1113/4885CHRNA4 1322/4885
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAP4K1 185/4885CHRNB2 3189/4885CHRNA4 4028/4885
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAP4K1 185/4885CHRNB2 3189/4885CHRNA4 4028/4885

“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.