SCHEMBL18126697

SCHEMBL18126697

O=C(c1ccc(Cl)cc1)N1CCN(c2ccc3nncn3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ CTSS P25774 2/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.50
▸ AKR1C3 P42330 1/20 0.48
▸ SLC6A7 Q99884 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GBA1 P04062 1/20 0.47
▸ PHGDH O43175 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL18126692 0.88 MEN1 (0.60) ADRB2KCNH2ALDH1A1MAPK1CTSS
SCHEMBL18126737 0.87 ALDH1A1 (0.58) ADRB2KCNH2ALDH1A1MAPK1CTSS
SCHEMBL18126696 0.84 CTSS (0.55) ADRB2KCNH2ALDH1A1MAPK1CTSS
SCHEMBL18126694 0.84 ADRB2 (0.62) ADRB2KCNH2ALDH1A1MAPK1CTSS
SCHEMBL24094940 0.83 ADRB2 (0.79) ADRB2KCNH2ALDH1A1MAPK1CTSS
SCHEMBL18126656 0.83 MAPT (0.62) ADRB2KCNH2ALDH1A1MAPK1CTSS
SCHEMBL19930458 0.82 SLC6A7 (0.54) ALDH1A1MAPK1MEN1MAPTKMT2A
SCHEMBL18126700 0.82 ALDH1A1 (0.58) ADRB2KCNH2ALDH1A1MAPK1CTSS
SCHEMBL18126695 0.82 CTSS (0.55) ADRB2KCNH2ALDH1A1MAPK1CTSS
SCHEMBL25793599 0.82 ADRB2 (0.67) ADRB2KCNH2ALDH1A1MAPK1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2022-01-25 — — US disclosed
US-20190343837-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2019-11-14 — — US disclosed
US-10363254-B2 Methods for treating cryptosporidiosis using triazolopyridazines UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2019-07-30 — — US disclosed
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2018-03-08 — — US disclosed
WO-2016161125-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2016-10-06 — — 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 (4 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-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines CLPP, SI, SAMHD1 ADRB2 3659/4885KCNH2 643/4885ALDH1A1 1257/4885
US-20190343837-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 ADRB2 3659/4885KCNH2 643/4885ALDH1A1 1257/4885
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 ADRB2 3659/4885KCNH2 643/4885ALDH1A1 1257/4885
US-10363254-B2 Methods for treating cryptosporidiosis using triazolopyridazines CLPP, SI, SAMHD1 ADRB2 3659/4885KCNH2 643/4885ALDH1A1 1257/4885

“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.

Send feedback