SCHEMBL5730262

SCHEMBL5730262

CSc1c(C)[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
MEN1 O00255 1/20 0.59
PKM P14618 1/20 0.59
KMT2A Q03164 1/20 0.59
AHR P35869 1/20 0.57
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50

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
SCHEMBL22460016 0.79 MAPT (0.54) MAPTSMN1; SMN2POLBNPSR1MEN1
SCHEMBL8535785 0.79 TUBB4A (0.61) MAPTSMN1; SMN2POLBNPSR1MEN1
SCHEMBL28396251 0.78 MAPT (0.47) MAPTSMN1; SMN2POLBNPSR1MEN1
SCHEMBL31228764 0.77 MAPT (0.57) MAPTSMN1; SMN2POLBNPSR1MEN1
SCHEMBL9073439 0.77 MAPT (1.00) MAPTSMN1; SMN2POLBNPSR1MEN1
SCHEMBL11609847 0.76 SMN1; SMN2 (0.47) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL11562029 0.76 ALDH1A1 (0.63) MAPTSMN1; SMN2POLBNPSR1MEN1
SCHEMBL11664527 0.76 KIF11 (0.48) MAPTSMN1; SMN2ALOX15
SCHEMBL17179367 0.74 MAPT (1.00) MAPTSMN1; SMN2POLBNPSR1MEN1
SCHEMBL28824472 0.74 AHR (0.61) MAPTPOLBNPSR1MEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-02 US disclosed
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) PARAZA PHARMA, INC. (CA) 2019-01-31 US disclosed
WO-2018098361-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 WO disclosed
EP-1501826-B1 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS HOFFMANN LA ROCHE (CH) 2006-09-27 EP disclosed
US-6852726-B2 Substituted indoles as alpha-1 agonists SYNTEX LLC (US) 2005-02-08 US disclosed
EP-1501826-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. Hoffman-la Roche AG (CH) 2005-02-02 EP disclosed
US-20030220319-A1 Substituted indoles as alpha-1 agonists SYNTEX (U.S.A.) LLC 2003-11-27 US disclosed
WO-2003064387-A2 SUBSTITUTED INDOLES AS ALPHA-1 AGONISTS F. HOFFMAN-LA ROCHE AG (CH) 2003-08-07 WO disclosed
US-4101583-A Alpha-methylthio-alpha-(2-aminophenyl) acetaldehyde diloweralkyl acetals THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1978-07-18 US disclosed
US-4080341-A Carbazolenine and indole compounds THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1978-03-21 US disclosed
US-4067875-A Certain N-phenyl or N-pyridyl aza sulfonium salts THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1978-01-10 US disclosed
US-3992392-A Synthesis of indoles from anilines and intermediates therein THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-11-16 US disclosed
US-3960926-A Process for preparing azasulfonium halide salts THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-06-01 US disclosed
US-3954797-A Process for preparing azasulfonium halide salts CHROMALLOY AMERICAN CORPORATION (US) 1976-05-04 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 (3 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-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) CDK13, CDK3, CDK12 MAPT 465/4885SMN1; SMN2 1178/4885POLB 528/4885
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 MAPT 465/4885SMN1; SMN2 1178/4885POLB 528/4885
US-20030220319-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1B MAPT 4067/4885SMN1; SMN2 3382/4885POLB 2208/4885

“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.