SCHEMBL2362220

SCHEMBL2362220

O=NN1CCOc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
PDK1 Q15118 1/20 0.46
POLB P06746 3/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 3/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
TSHR P16473 4/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.39
NUDT1 P36639 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL30395562 1.00 NOTUM (0.51) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL5636855 0.89 NOTUM (0.45) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL2362807 0.77 ALDH1A1 (0.54) NOTUMKMT2ALMNASMN1; SMN2HTT
SCHEMBL3220133 0.76 FABP6 (0.39) POLBHTTMAPT
SCHEMBL18650412 0.75 ALDH1A1 (0.40) NOTUMKMT2ASMN1; SMN2NPC1TSHR
SCHEMBL11434536 0.73 HTR2A (0.44) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL11430346 0.73 ALOX12 (0.42) NOTUMTSHR
SCHEMBL6502052 0.71 ALDH1A1 (0.37) NOTUMPOLBKMT2ANPC1TSHR
SCHEMBL214286 0.71 NOTUM (0.56) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL519320 0.71 NOTUM (0.56) NOTUMITGB2ICAM1ITGALPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12312356-B2 Anthelmintic heterocyclic compounds BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2025-05-27 US disclosed
EP-4426699-A1 ANTHELMINTIC PYRROLOPYRIDAZINE COMPOUNDS Boehringer Ingelheim Vetmedica GmbH (DE) 2024-09-11 EP disclosed
US-20240254133-A1 ANTHELMINTIC PYRROLOPYRIDAZINE COMPOUNDS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2024-08-01 US disclosed
CN-118339164-A Insect repellent pyrrolopyridazine compounds 勃林格殷格翰动物保健有限公司 2024-07-12 CN disclosed
US-11999742-B2 Substituted pyrrolo[1,2-b]pyridazines as anthelmintics BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2024-06-04 US disclosed
US-20240166653-A1 ANTHELMINTIC HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2024-05-23 US disclosed
US-11964977-B2 Anthelmintic heterocyclic compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-04-23 US disclosed
CN-116249704-A Heterocyclic compounds for insect repellent 勃林格殷格翰动物保健美国公司 2023-06-09 CN disclosed
EP-4185589-A1 ANTHELMINTIC HETEROCYCLIC COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2023-05-31 EP disclosed
US-20230159543-A1 ANTHELMINTIC PYRROLOPYRIDAZINE COMPOUNDS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2023-05-25 US disclosed
US-9949965-B2 Tricyclic indole Mcl-1 inhibitors and uses thereof VANDERBILT UNIVERSITY (US) 2018-04-24 US disclosed
US-20160106731-A1 TRICYCLIC INDOLE MCL-1 INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-21 US disclosed
US-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 US disclosed
US-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 US disclosed
US-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 US disclosed
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-15 US disclosed
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-15 US disclosed
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-15 US disclosed
WO-2011103460-A1 FUSED TETRACYCLIC PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]ONDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 WO disclosed
WO-2011103460-A1 FUSED TETRACYCLIC PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]ONDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 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 (8 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-11964977-B2 Anthelmintic heterocyclic compounds AADAC, HNMT, HRH4 NOTUM 465/4885ITGB2 3597/4885ICAM1 3809/4885
US-20230159543-A1 ANTHELMINTIC PYRROLOPYRIDAZINE COMPOUNDS IL5, EPX, MPO NOTUM 454/4885ITGB2 4197/4885ICAM1 3325/4885
US-20240166653-A1 ANTHELMINTIC HETEROCYCLIC COMPOUNDS AADAC, HNMT, HRH4 NOTUM 465/4885ITGB2 3597/4885ICAM1 3809/4885
US-12312356-B2 Anthelmintic heterocyclic compounds AADAC, HNMT, HRH4 NOTUM 465/4885ITGB2 3597/4885ICAM1 3809/4885
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C NOTUM 3665/4885ITGB2 4230/4885ICAM1 3400/4885
US-20240254133-A1 ANTHELMINTIC PYRROLOPYRIDAZINE COMPOUNDS IL5, EPX, MPO NOTUM 454/4885ITGB2 4197/4885ICAM1 3325/4885
US-20160106731-A1 TRICYCLIC INDOLE MCL-1 INHIBITORS AND USES THEREOF MCL1, BCL2L1, BCL3 NOTUM 4292/4885ITGB2 4691/4885ICAM1 1725/4885
US-11999742-B2 Substituted pyrrolo[1,2-b]pyridazines as anthelmintics IL5, PLPBP, PNPO NOTUM 1972/4885ITGB2 2245/4885ICAM1 2808/4885

“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.