SCHEMBL21859083

SCHEMBL21859083

O=C(NCCO)c1cc(Cc2ccc(Br)cc2)c2cccn2n1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.66
KDM4E B2RXH2 2/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
APOBEC3A P31941 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 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
SCHEMBL21858970 0.85 CHRM1 (0.59) CHRM1RAB9ANPC1APOBEC3ASMN1; SMN2
SCHEMBL21859015 0.83 CHRM1 (0.67) CHRM1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL30436296 0.82 CHRM1 (0.57) CHRM1RAB9ANPC1
SCHEMBL21859041 0.82 CHRM1 (0.66) CHRM1KDM4ESMN1; SMN2HSD17B10
SCHEMBL22322560 0.81 CHRM1 (0.55) CHRM1RAB9ANPC1MAPT
SCHEMBL21858933 0.81 CHRM1 (0.55) CHRM1TP53RAB9ANPC1MAPT
SCHEMBL21859075 0.81 CHRM1 (0.57) CHRM1KDM4ETP53RAB9ANPC1
SCHEMBL30435828 0.81 CHRM1 (0.57) CHRM1KDM4ETP53RAB9ANPC1
SCHEMBL21859033 0.80 CHRM1 (1.00) CHRM1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL22322433 0.78 CHRM1 (0.79) CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122779-B2 Pyrrolo-pyridazine derivatives as muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2024-10-22 US claimed
CN-113166160-B Pyrrolopyridazine derivatives as modulators of the positive allosteric of the muscarinic M1 receptor 苏文生命科学有限公司 2023-12-19 CN claimed
EP-3867254-B1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2023-05-31 EP claimed
US-20210340148-A1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2021-11-04 US claimed
CN-113166160-A Pyrrolopyridazine derivatives as positive allosteric modulators of muscarinic M1 receptors 苏文生命科学有限公司 2021-07-23 CN claimed
WO-2020079606-A9 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2020-08-13 WO claimed
WO-2020079606-A1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2020-04-23 WO claimed
US-12122779-B2 Pyrrolo-pyridazine derivatives as muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2024-10-22 US disclosed
CN-113166160-B Pyrrolopyridazine derivatives as modulators of the positive allosteric of the muscarinic M1 receptor 苏文生命科学有限公司 2023-12-19 CN disclosed
EP-3867254-B1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2023-05-31 EP disclosed
US-20210340148-A1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2021-11-04 US disclosed
US-20210340148-A1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2021-11-04 US disclosed
CN-113166160-A Pyrrolopyridazine derivatives as positive allosteric modulators of muscarinic M1 receptors 苏文生命科学有限公司 2021-07-23 CN disclosed
WO-2020079606-A9 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2020-08-13 WO disclosed
WO-2020079606-A1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2020-04-23 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 (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-20210340148-A1 PYRROLO-PYRIDAZINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM5, CHRM2 CHRM1 1/4885KDM4E 3084/4885TP53 1924/4885
US-12122779-B2 Pyrrolo-pyridazine derivatives as muscarinic M1 receptor positive allosteric modulators CHRM1, CHRM5, CHRM2 CHRM1 1/4885KDM4E 3084/4885TP53 1924/4885

“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.