SCHEMBL1159918

SCHEMBL1159918

C=C1NCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.59
PARP1 P09874 6/20 0.59
PARP11 Q9NR21 2/20 0.59
PDPK1 O15530 1/20 0.59
HTR2C P28335 1/20 0.44
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42

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
SCHEMBL13896338 0.77 CA12 (0.56) PARP10PARP1PARP11PDPK1CES1
Iodide SCHEMBL7869094 0.76 CA12 (0.54) PARP10PARP1PARP11PDPK1CES1
SCHEMBL8167149 0.75 PARP10 (0.46) PARP10PARP1PARP11PDPK1CYP2A6
SCHEMBL5255383 0.74 PARP10 (0.59) PARP10PARP1PARP11PDPK1HTR2C
SCHEMBL21591655 0.74 PARP1 (0.59) PARP10PARP1PARP11PDPK1HTR2C
SCHEMBL29369705 0.74 PARP10 (1.00) PARP10PARP1PARP11PDPK1TUBB4A
SCHEMBL88901 0.74 PARP1 (0.59) PARP10PARP1PARP11PDPK1HTR2C
SCHEMBL20627564 0.74 PARP10 (0.59) PARP10PARP1PARP11PDPK1HTR2C
SCHEMBL1617927 0.74 PDPK1 (0.59) PARP10PARP1PARP11PDPK1HTR2C
SCHEMBL67710 0.74 PARP10 (1.00) PARP10PARP1PARP11PDPK1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245960-A2 Process for preparing N-acyltetrahydroisoquinoline Takasago Perfumery Co., Ltd. (JP) 1987-11-19 EP claimed
EP-3693366-A1 PROCESSES FOR PREPARING ASK1 INHIBITORS Gilead Sciences, Inc. (US) 2020-08-12 EP disclosed
EP-3000815-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2017-07-19 EP disclosed
US-8394789-B2 (Dihydro)pyrrolo[2,1-α]isoquinolines MSD OSS B.V. (NL) 2013-03-12 US disclosed
EP-2252611-B1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES ORGANON NV (NL) 2011-10-05 EP disclosed
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-17 US disclosed
EP-2252611-A1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. Organon (NL) 2010-11-24 EP disclosed
WO-2009098283-A1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2009-08-13 WO disclosed
EP-0245960-A2 Process for preparing N-acyltetrahydroisoquinoline Takasago Perfumery Co., Ltd. (JP) 1987-11-19 EP disclosed
EP-0245960-A2 Process for preparing N-acyltetrahydroisoquinoline Takasago Perfumery Co., Ltd. (JP) 1987-11-19 EP disclosed
US-4163786-A Thiazoloisoquinolines with coronary and respiratory effects CHINOIN PHARMACEUTICAL AND CHEMICAL WORKS LTD. (HU) 1979-08-07 US disclosed
US-4062850-A Thiazoloisoquinolines with coronary and respiratory effects CHINOIN PHARMACEUTICAL AND CHEMICAL WORKS LTD. (HU) 1977-12-13 US disclosed
US-3979397-A Pharmaceutically effective novel 3,4-dihydro-1,2- and 1,3-thiozolo [4,3a] is CHINOIN PHARMACEUTICAL AND CHEMICAL WORKS LTD. (HU) 1976-09-07 US 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 (1 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-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES PKD2, PKD1, CATSPER1 PARP10 430/4885PARP1 433/4885PARP11 281/4885

“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.