SCHEMBL398019

SCHEMBL398019

Nc1ncc(-c2ccccc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NFKB1 P19838 2/20 0.61
NFKB2 Q00653 2/20 0.61
RELA Q04206 2/20 0.61
MAPT P10636 3/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 1/20 0.50
PAK4 O96013 1/20 0.48
CSF1R P07333 1/20 0.48
RET P07949 1/20 0.48
GRK5 P34947 1/20 0.48
MAPK8 P45983 1/20 0.48
CSNK1A1 P48729 1/20 0.48
ACVR1 Q04771 1/20 0.48
PTK2 Q05397 1/20 0.48
TYRO3 Q06418 1/20 0.48
MAP4K2 Q12851 1/20 0.48

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
Hydrochloric Acid SCHEMBL18605713 0.97 MAP4K4 (0.59) MAP4K4NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL15614090 0.97 MAP4K4 (0.59) MAP4K4NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL12443219 0.87 MAP4K4 (0.66) MAP4K4NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL4859450 0.83 MAP4K4 (0.56) MAP4K4NPC1RAB9ASMN1; SMN2NFKB1
Biphenyl SCHEMBL27673401 0.81 HSP90AA1 (0.67) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28881812 0.81 NPC1 (0.54) MAP4K4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1256178 0.79 MAPT (0.70) MAP4K4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23249762 0.78 MAP4K4 (0.59) MAP4K4MAPTLMNAHSD17B10CYP3A4
SCHEMBL10917995 0.77 MAPT (0.55) MAP4K4NPC1RAB9ASMN1; SMN2MAPT
Biphenyl SCHEMBL11844992 0.77 HSP90AA1 (0.65) MAP4K4NPC1RAB9ASMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US claimed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP claimed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO claimed
US-20260034101-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC INC (US) 2026-02-05 US disclosed
US-12383533-B2 Antimitotic amides for the treatment of cancer and proliferative disorders FROST BIOLOGIC, INC. (US) 2025-08-12 US disclosed
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS YALE UNIVERSITY 2023-11-02 US disclosed
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 US disclosed
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 US disclosed
EP-4225006-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2023-08-09 EP disclosed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-20100069370-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-03-18 US disclosed
US-7595322-B2 Heterocyclic sulfonamides as modulators of cardiac sarcomeres CYTOKINETICS, INC. (US) 2009-09-29 US disclosed
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-1605752-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2008-05-07 EP disclosed
US-20070078126-A1 Useful in selective modulation of cardiac sarcomere, for example, by potentiating cardiac myosin; can be used to treat heart failure including CHF, particularly systolic heart failure; 4-[4-chloro-3-(5-phenyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester CYTOKINETICS, INCORPORATED 2007-04-05 US disclosed
EP-1605752-A1 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2005-12-21 EP disclosed
WO-2004086865-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-10-14 WO disclosed
US-3965101-A CNS STIMULANTS E. R. SQUIBB & SONS, INC. (US) 1976-06-22 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 (7 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-20100069370-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 MAP4K4 1000/4885NPC1 4826/4885RAB9A 2843/4885
US-20260034101-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS NCOR1, NR0B1, NCOR2 MAP4K4 4033/4885NPC1 548/4885RAB9A 1619/4885
US-12383533-B2 Antimitotic amides for the treatment of cancer and proliferative disorders CCNA1, CCNE1, CCNB1 MAP4K4 2652/4885NPC1 1272/4885RAB9A 143/4885
US-20070078126-A1 Useful in selective modulation of cardiac sarcomere, for example, by potentiating cardiac myosin; can be used to treat heart failure including CHF, particularly systolic heart failure; 4-[4-chloro-3-(5-phenyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-benzenesulfonyl]-piperazine-1-carboxylic acid ethyl ester MYLK2, MYH2, MYH14 MAP4K4 551/4885NPC1 4811/4885RAB9A 2948/4885
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS ASGR1, MSR1, LDLR MAP4K4 4049/4885NPC1 1470/4885RAB9A 1971/4885
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 MAP4K4 181/4885NPC1 4354/4885RAB9A 3613/4885
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 MAP4K4 867/4885NPC1 1592/4885RAB9A 2328/4885

“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.